PMCCPMCCPMCC

Search tips
Search criteria 

Advanced

 
Logo of actaeInternational Union of Crystallographysearchopen accessarticle submissionjournal home pagethis article
 
Acta Crystallogr Sect E Struct Rep Online. 2010 December 1; 66(Pt 12): m1513.
Published online 2010 November 6. doi:  10.1107/S1600536810044752
PMCID: PMC3011679

Bis[μ-2-(4-hy­droxy­phen­yl)acetato]-κ3 O,O′:O3 O:O,O′-bis­{aqua­(4,4′-bi­pyridine-κN)[2-(4-hy­droxy­phen­yl)acetato-κ2 O,O′]erbium(III)} monohydrate

Abstract

The title dinuclear complex, [Er2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O, contains two ErIII atoms in the asymmetric unit, six 2-(4-hy­droxy­phen­yl)acetate (PAA) anions, two 4,4′-bipyridine (bipy) mol­ecules, two coordinated water mol­ecules and one solvent water mol­ecule. The central ErIII atoms are nine-coordinated. The coordination environment includes six O atoms from three PAA anions, one bridging O atom from a PAA anion, one O atom from a water mol­ecule and an N atom from a bipy ligand in a distorted tricapped trigonal–prismatic geometry. The occurrence of numerous O—H(...)O and O—H(...)N hydrogen bonds involving coordinated and noncoordinated water as well as bipy groups builds up an intricate three-dimensional network.

Related literature

For the crystal structure of a related thulium compound with 1,10-phenanthroline instead of 4,4′-bipyridine, see: Liu et al. (2010 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-m1513-scheme1.jpg

Experimental

Crystal data

  • [Er2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O
  • M r = 1607.76
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-m1513-efi1.jpg
  • a = 11.7043 (2) Å
  • b = 16.1714 (3) Å
  • c = 18.4117 (3) Å
  • α = 83.350 (1)°
  • β = 72.339 (1)°
  • γ = 71.359 (1)°
  • V = 3145.74 (10) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 2.73 mm−1
  • T = 296 K
  • 0.19 × 0.15 × 0.10 mm

Data collection

  • Bruker APEXII diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.620, T max = 0.761
  • 47710 measured reflections
  • 14291 independent reflections
  • 12810 reflections with I > 2σ(I)
  • R int = 0.020

Refinement

  • R[F 2 > 2σ(F 2)] = 0.018
  • wR(F 2) = 0.044
  • S = 1.03
  • 14291 reflections
  • 875 parameters
  • 9 restraints
  • H atoms treated by a mixture of independent and constrained refinement
  • Δρmax = 0.41 e Å−3
  • Δρmin = −0.80 e Å−3

Data collection: APEX2 (Bruker, 2006 [triangle]); cell refinement: SAINT (Bruker, 2006 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: SHELXTL (Sheldrick, 2008 [triangle]); software used to prepare material for publication: SHELXL97.

Table 1
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810044752/om2372sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810044752/om2372Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

supplementary crystallographic information

Comment

The design and synthesis of lanthanide carboxylic metal–organic complexes has been of interest for decades owing to their potential practical applications, such as fluorescence and magnetism. We recently published the structure of a thulium(III) complex with coordination provided by 2-(4-hydroxyphenyl)acetate and 1,10-phenanthroline. (Liu et al., 2010). In this paper, we report the related crystal structure of a new erbium(III) complex with the ligand 2-(4-hydroxyphenyl)acetate and 4,4'-bipyridine instead of 1,10-phenathroline. The dinuclear complex, [Er(C8H7O3)3(C10H8N2) (H20)]2.(H20), contains two erbium(III) ions in the asymmetric unit, six 2-(4-hydroxyphenyl)acetate (PAA) anions, two 4,4'-bipyridine molecules (bipy), as well as two coordinated water molecules. There is one solvate water molecule. The central Er ions are nine coordinate. The have similar coordination spheres, which include six O atoms from three 2-(4-hydroxyphenyl)acetate ligands, one bridging O atom from a neighboring PAA ligand, one O atom from a water molecule and a N atom from bipy ligand in a distorted tricapped trigonal-prismatic geometry. In the species, the Er's are coordinated by two modes, bridging and bridging tridentate (Fig. 1). Each Er is in a distorted tricapped trigonal-prismatic geometry. Futhermore, the asymmetric unit contains one solvent water molecules (Fig. 1). The occurrence of numerous O—H···O and O—H···N hydrogen bonds involving coordinated and non-coordinated water as well as bipyridine groups builds up an intricate three-dimensionnal network (Table 1).

Experimental

All reagents and solvents used were of commercially available quality and were used without further purification. Para-hydroxyphenylacetic acid (HPAA) (3 mmol) and sodium hydroxide (3 mmol) were mixed together in water (10 ml), then Er[(NO3)3] (1 mmol) dissolved in water (10 ml) was added into the above solution. After stirring for one hour, an ethanol (5 ml) solution of 4,4'-bipyridine (1 mmol) was slowly dripped into the above solution with stirring for three hours. After filtration, the filtrate was allowed to stand at room temperature, and single crystals suitable for X-ray work were obtained after one week.

Refinement

All H atoms attached to C atoms and O(hydroxyl) atom were fixed geometrically and treated as riding with C—H = 0.97 Å (methylene) or 0.93 Å (aromatic) and O—H = 0.82 Å with Uiso(H) = 1.2Ueq(C) or Uiso(H) = 1.5Ueq(O). H atoms of the water molecule were located in a difference Fourier map and included in the subsequent refinement using restraints (O—H = 0.82 (1) Å and H···H= 1.39 (2) Å) with Uiso(H) = 1.5Ueq(O). In the last cycles of refinement they were treated as riding on their parent O atom.

Figures

Fig. 1.
The molecular structure of the title complex, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level (The H atoms not involved in hydrogen bonding were omitted for clarity).

Crystal data

[Er2(C8H7O3)6(C10H8N2)2(H2O)2]·H2OZ = 2
Mr = 1607.76F(000) = 1608
Triclinic, P1Dx = 1.697 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.7043 (2) ÅCell parameters from 9914 reflections
b = 16.1714 (3) Åθ = 1.8–27.7°
c = 18.4117 (3) ŵ = 2.73 mm1
α = 83.350 (1)°T = 296 K
β = 72.339 (1)°Block, brown
γ = 71.359 (1)°0.19 × 0.15 × 0.10 mm
V = 3145.74 (10) Å3

Data collection

Bruker APEXII diffractometer14291 independent reflections
Radiation source: fine-focus sealed tube12810 reflections with I > 2σ(I)
graphiteRint = 0.020
[var phi] and ω scansθmax = 27.7°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −15→15
Tmin = 0.620, Tmax = 0.761k = −21→21
47710 measured reflectionsl = −24→24

Refinement

Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.018Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.044H atoms treated by a mixture of independent and constrained refinement
S = 1.03w = 1/[σ2(Fo2) + (0.0177P)2 + 1.8781P] where P = (Fo2 + 2Fc2)/3
14291 reflections(Δ/σ)max = 0.002
875 parametersΔρmax = 0.41 e Å3
9 restraintsΔρmin = −0.79 e Å3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

xyzUiso*/Ueq
Er10.272626 (7)0.363745 (5)0.282022 (5)0.02268 (3)
Er20.131164 (7)0.207912 (5)0.197904 (5)0.02233 (3)
N10.31200 (15)0.50792 (10)0.28188 (10)0.0307 (4)
N20.3925 (2)0.92876 (14)0.22401 (18)0.0643 (7)
N30.08811 (16)0.06535 (10)0.19105 (10)0.0298 (4)
N40.0361 (2)−0.36355 (13)0.22761 (17)0.0626 (7)
C10.2256 (2)0.50765 (14)0.51543 (12)0.0334 (4)
C20.3418 (2)0.51383 (15)0.47165 (14)0.0412 (5)
H20.39840.46690.44220.049*
C30.3753 (2)0.58859 (16)0.47094 (15)0.0453 (6)
H30.45360.59180.44080.054*
C40.2932 (2)0.65817 (15)0.51468 (14)0.0400 (5)
C50.1783 (2)0.65263 (15)0.56002 (15)0.0446 (6)
H50.12340.69890.59090.054*
C60.1447 (2)0.57835 (15)0.55962 (14)0.0413 (5)
H60.06610.57560.58960.050*
C70.1869 (2)0.42605 (15)0.51792 (13)0.0390 (5)
H7A0.23190.38050.54710.047*
H7B0.09770.43860.54340.047*
C80.2142 (2)0.39421 (13)0.43890 (12)0.0331 (4)
C90.62243 (19)0.09048 (13)0.30165 (14)0.0361 (5)
C100.6034 (3)0.05923 (15)0.37554 (15)0.0485 (6)
H100.59040.09660.41400.058*
C110.6029 (3)−0.02615 (15)0.39469 (14)0.0475 (6)
H110.5895−0.04560.44520.057*
C120.6224 (2)−0.08167 (13)0.33793 (13)0.0360 (5)
C130.6402 (2)−0.05169 (15)0.26370 (14)0.0437 (5)
H130.6525−0.08900.22530.052*
C140.6399 (2)0.03333 (15)0.24595 (14)0.0432 (5)
H140.65180.05290.19550.052*
C150.6248 (2)0.18284 (14)0.28110 (18)0.0479 (6)
H15A0.69020.18250.23370.058*
H15B0.64760.20400.32030.058*
C160.50311 (18)0.24622 (12)0.27212 (12)0.0295 (4)
C170.2730 (2)0.45397 (14)0.01310 (12)0.0394 (5)
C180.1471 (2)0.50128 (17)0.02819 (13)0.0451 (6)
H180.08660.47450.05490.054*
C190.1091 (2)0.58785 (16)0.00428 (14)0.0429 (5)
H190.02400.61870.01500.051*
C200.1987 (2)0.62797 (14)−0.03568 (13)0.0364 (5)
C210.3247 (2)0.58185 (14)−0.05022 (14)0.0390 (5)
H210.38520.6088−0.07630.047*
C220.3609 (2)0.49584 (14)−0.02606 (14)0.0396 (5)
H220.44610.4654−0.03630.048*
C230.3133 (3)0.36015 (15)0.04024 (14)0.0541 (7)
H23A0.25930.32980.03170.065*
H23B0.39860.33190.01050.065*
C240.3073 (2)0.35285 (12)0.12354 (12)0.0304 (4)
C250.1423 (2)0.11464 (14)0.47612 (12)0.0350 (5)
C260.0399 (2)0.10725 (15)0.53574 (13)0.0402 (5)
H26−0.02870.15650.55140.048*
C270.0380 (2)0.02738 (15)0.57261 (13)0.0397 (5)
H27−0.03110.02340.61280.048*
C280.1386 (2)−0.04556 (13)0.54937 (12)0.0332 (4)
C290.2423 (2)−0.03927 (15)0.49027 (13)0.0394 (5)
H290.3108−0.08850.47470.047*
C300.2433 (2)0.04070 (15)0.45467 (13)0.0400 (5)
H300.31350.04480.41540.048*
C310.1444 (3)0.19981 (14)0.43375 (13)0.0415 (5)
H31A0.08050.24680.46470.050*
H31B0.22530.20830.42740.050*
C320.12247 (18)0.20650 (12)0.35667 (12)0.0281 (4)
C33−0.25296 (17)0.47932 (12)0.24488 (12)0.0282 (4)
C34−0.2103 (2)0.51785 (14)0.17454 (13)0.0352 (5)
H34−0.17210.48340.13150.042*
C35−0.2233 (2)0.60557 (14)0.16719 (13)0.0378 (5)
H35−0.19470.63000.11950.045*
C36−0.2787 (2)0.65764 (13)0.23040 (13)0.0350 (5)
C37−0.3217 (2)0.62089 (13)0.30101 (13)0.0379 (5)
H37−0.35940.65550.34390.045*
C38−0.3084 (2)0.53220 (13)0.30768 (13)0.0346 (5)
H38−0.33740.50790.35540.042*
C39−0.24006 (18)0.38311 (12)0.25171 (14)0.0346 (5)
H39A−0.28490.37030.30320.042*
H39B−0.28060.37020.21750.042*
C40−0.10703 (18)0.32306 (12)0.23417 (11)0.0272 (4)
C410.2330 (2)0.05678 (14)−0.04405 (12)0.0374 (5)
C420.3521 (2)0.00595 (15)−0.04052 (13)0.0391 (5)
H420.40830.0334−0.03590.047*
C430.3895 (2)−0.08380 (15)−0.04370 (14)0.0423 (5)
H430.4702−0.1162−0.04200.051*
C440.3063 (2)−0.12537 (15)−0.04945 (14)0.0447 (5)
C450.1879 (2)−0.07640 (16)−0.05424 (15)0.0468 (6)
H450.1320−0.1040−0.05910.056*
C460.1527 (2)0.01357 (16)−0.05181 (14)0.0432 (5)
H460.07310.0459−0.05550.052*
C470.1901 (3)0.15508 (15)−0.03735 (13)0.0435 (5)
H47A0.25300.1788−0.07250.052*
H47B0.11240.1793−0.05150.052*
C480.1693 (2)0.18189 (12)0.04274 (12)0.0336 (5)
C490.2288 (2)0.57667 (13)0.32171 (13)0.0339 (4)
H490.15540.56930.35570.041*
C500.2461 (2)0.65824 (13)0.31501 (13)0.0353 (5)
H500.18570.70410.34420.042*
C510.3543 (2)0.67110 (13)0.26442 (13)0.0337 (5)
C520.4421 (2)0.59934 (14)0.22450 (15)0.0403 (5)
H520.51700.60460.19090.048*
C530.4180 (2)0.52015 (13)0.23478 (14)0.0380 (5)
H530.47850.47280.20770.046*
C540.4495 (3)0.86765 (18)0.1723 (2)0.0736 (10)
H540.49820.88240.12550.088*
C550.4421 (2)0.78325 (16)0.18269 (19)0.0596 (8)
H550.48350.74340.14360.072*
C560.3724 (2)0.75902 (13)0.25202 (15)0.0397 (5)
C570.3164 (3)0.82154 (16)0.30725 (18)0.0601 (8)
H570.27120.80800.35570.072*
C580.3277 (3)0.90479 (18)0.2903 (2)0.0691 (9)
H580.28690.94630.32810.083*
C590.1750 (2)−0.00035 (13)0.14942 (13)0.0361 (5)
H590.24880.00930.11820.043*
C600.1609 (2)−0.08242 (13)0.15041 (14)0.0401 (5)
H600.2235−0.12570.11930.048*
C610.0545 (2)−0.10022 (12)0.19732 (13)0.0343 (5)
C62−0.0381 (2)−0.03086 (14)0.23823 (14)0.0396 (5)
H62−0.1135−0.03860.26900.048*
C63−0.0185 (2)0.04953 (13)0.23336 (14)0.0361 (5)
H63−0.08250.09510.26090.043*
C640.1158 (4)−0.33945 (17)0.16761 (19)0.0669 (9)
H640.1706−0.38180.13270.080*
C650.1225 (3)−0.25481 (15)0.15369 (17)0.0588 (8)
H650.1793−0.24130.11000.071*
C660.0440 (2)−0.19045 (13)0.20547 (15)0.0418 (6)
C67−0.0408 (2)−0.21508 (16)0.2679 (2)0.0581 (8)
H67−0.0965−0.17440.30410.070*
C68−0.0415 (3)−0.30106 (17)0.2758 (2)0.0690 (10)
H68−0.1002−0.31610.31750.083*
O1W0.08967 (14)0.45713 (9)0.25376 (10)0.0351 (3)
O10.31321 (16)0.33485 (10)0.41030 (10)0.0448 (4)
O2W0.32191 (14)0.11389 (9)0.21641 (10)0.0365 (3)
O20.13911 (14)0.42916 (10)0.39984 (9)0.0384 (3)
O30.32934 (18)0.73159 (12)0.51239 (13)0.0621 (5)
H3B0.27100.76950.53830.053 (8)*
O3W0.55572 (19)0.76710 (13)0.49150 (12)0.0557 (5)
O40.49306 (14)0.32552 (9)0.26308 (10)0.0423 (4)
O50.41097 (13)0.21949 (9)0.27590 (9)0.0355 (3)
O60.6256 (2)−0.16741 (10)0.35221 (10)0.0575 (5)
H6B0.5986−0.17550.39820.086*
O70.35154 (16)0.39907 (10)0.14982 (9)0.0419 (4)
O80.25588 (12)0.30030 (8)0.16729 (8)0.0288 (3)
O90.16710 (17)0.71316 (10)−0.06077 (11)0.0515 (4)
H9A0.09620.7273−0.06600.077*
O100.14490 (12)0.26954 (8)0.31222 (8)0.0276 (3)
O110.08354 (14)0.15303 (9)0.33467 (8)0.0347 (3)
O120.14141 (15)−0.12645 (10)0.58283 (10)0.0436 (4)
H120.0696−0.12690.60560.065*
O13−0.01345 (13)0.35115 (8)0.20622 (9)0.0344 (3)
O14−0.08956 (13)0.24254 (9)0.24632 (10)0.0387 (4)
O15−0.28900 (18)0.74434 (10)0.22001 (11)0.0515 (4)
H15C−0.31550.76770.26160.077*
O160.25751 (14)0.15768 (10)0.07291 (9)0.0373 (3)
O170.06252 (16)0.22753 (10)0.08072 (10)0.0456 (4)
O180.3465 (2)−0.21435 (11)−0.05109 (14)0.0692 (6)
H18B0.2901−0.2320−0.05460.104*
H2WA0.372 (3)0.131 (2)0.230 (2)0.104*
H2WB0.355 (3)0.0618 (12)0.210 (2)0.104*
H3WB0.496 (3)0.749 (2)0.497 (2)0.104*
H1WA0.042 (3)0.439 (2)0.239 (2)0.104*
H1WB0.068 (3)0.5102 (12)0.244 (2)0.104*
H3WA0.597 (3)0.734 (2)0.519 (2)0.104*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Er10.02520 (4)0.01535 (4)0.03068 (5)−0.00889 (3)−0.01071 (3)0.00290 (3)
Er20.02410 (4)0.01427 (4)0.03054 (5)−0.00713 (3)−0.00945 (3)0.00068 (3)
N10.0306 (8)0.0208 (8)0.0434 (10)−0.0104 (7)−0.0122 (7)0.0012 (7)
N20.0591 (14)0.0278 (11)0.121 (2)−0.0221 (10)−0.0450 (15)0.0179 (13)
N30.0365 (9)0.0195 (7)0.0365 (10)−0.0106 (7)−0.0129 (7)0.0011 (7)
N40.0824 (17)0.0278 (11)0.108 (2)−0.0263 (11)−0.0674 (17)0.0176 (12)
C10.0371 (11)0.0369 (11)0.0299 (11)−0.0138 (9)−0.0115 (9)−0.0023 (8)
C20.0367 (12)0.0419 (12)0.0407 (13)−0.0099 (10)−0.0026 (10)−0.0119 (10)
C30.0320 (11)0.0494 (14)0.0520 (15)−0.0164 (10)−0.0013 (10)−0.0079 (11)
C40.0374 (11)0.0354 (11)0.0514 (14)−0.0144 (9)−0.0139 (10)−0.0033 (10)
C50.0369 (12)0.0362 (12)0.0557 (16)−0.0063 (9)−0.0061 (11)−0.0140 (11)
C60.0320 (11)0.0419 (12)0.0481 (14)−0.0139 (9)−0.0031 (10)−0.0074 (10)
C70.0499 (13)0.0380 (12)0.0318 (12)−0.0201 (10)−0.0083 (10)−0.0002 (9)
C80.0425 (12)0.0288 (10)0.0336 (11)−0.0220 (9)−0.0077 (9)0.0021 (8)
C90.0264 (10)0.0244 (10)0.0594 (15)−0.0034 (8)−0.0199 (10)0.0001 (9)
C100.0695 (17)0.0303 (11)0.0508 (15)−0.0085 (11)−0.0286 (13)−0.0083 (10)
C110.0694 (17)0.0337 (12)0.0367 (13)−0.0096 (11)−0.0169 (12)−0.0015 (10)
C120.0425 (12)0.0245 (10)0.0411 (13)−0.0103 (9)−0.0117 (10)−0.0006 (9)
C130.0631 (15)0.0321 (11)0.0367 (13)−0.0145 (11)−0.0132 (11)−0.0063 (9)
C140.0523 (14)0.0357 (12)0.0389 (13)−0.0115 (10)−0.0128 (11)0.0046 (10)
C150.0330 (11)0.0256 (11)0.090 (2)−0.0076 (9)−0.0287 (12)0.0072 (11)
C160.0285 (10)0.0234 (9)0.0370 (11)−0.0069 (7)−0.0117 (8)0.0022 (8)
C170.0663 (15)0.0372 (12)0.0267 (11)−0.0289 (11)−0.0184 (10)0.0054 (9)
C180.0602 (15)0.0567 (15)0.0305 (12)−0.0401 (13)−0.0074 (11)0.0022 (10)
C190.0403 (12)0.0538 (14)0.0392 (13)−0.0193 (11)−0.0101 (10)−0.0070 (11)
C200.0471 (12)0.0330 (11)0.0370 (12)−0.0171 (9)−0.0183 (10)0.0007 (9)
C210.0430 (12)0.0360 (11)0.0446 (13)−0.0210 (10)−0.0143 (10)0.0058 (10)
C220.0459 (13)0.0344 (11)0.0442 (14)−0.0161 (10)−0.0188 (10)0.0053 (10)
C230.104 (2)0.0342 (12)0.0367 (14)−0.0352 (14)−0.0248 (14)0.0076 (10)
C240.0393 (11)0.0229 (9)0.0321 (11)−0.0139 (8)−0.0108 (9)0.0031 (8)
C250.0526 (13)0.0317 (10)0.0319 (11)−0.0227 (10)−0.0208 (10)0.0083 (9)
C260.0486 (13)0.0309 (11)0.0399 (13)−0.0108 (10)−0.0137 (10)0.0034 (9)
C270.0436 (12)0.0391 (12)0.0363 (12)−0.0180 (10)−0.0080 (10)0.0066 (9)
C280.0418 (11)0.0309 (10)0.0339 (11)−0.0185 (9)−0.0160 (9)0.0081 (8)
C290.0395 (12)0.0351 (11)0.0418 (13)−0.0117 (9)−0.0111 (10)0.0064 (9)
C300.0454 (12)0.0420 (12)0.0366 (12)−0.0234 (10)−0.0113 (10)0.0116 (10)
C310.0680 (16)0.0335 (11)0.0382 (13)−0.0293 (11)−0.0256 (11)0.0091 (9)
C320.0290 (9)0.0227 (9)0.0334 (11)−0.0108 (7)−0.0086 (8)0.0041 (8)
C330.0240 (9)0.0213 (9)0.0385 (12)−0.0033 (7)−0.0103 (8)−0.0030 (8)
C340.0373 (11)0.0307 (10)0.0344 (12)−0.0057 (9)−0.0072 (9)−0.0091 (9)
C350.0454 (12)0.0333 (11)0.0329 (12)−0.0127 (9)−0.0082 (10)0.0010 (9)
C360.0394 (11)0.0228 (9)0.0449 (13)−0.0078 (8)−0.0159 (10)−0.0028 (9)
C370.0459 (12)0.0285 (10)0.0362 (12)−0.0045 (9)−0.0111 (10)−0.0099 (9)
C380.0370 (11)0.0299 (10)0.0319 (11)−0.0057 (8)−0.0071 (9)−0.0006 (8)
C390.0270 (10)0.0221 (9)0.0527 (14)−0.0056 (8)−0.0099 (9)−0.0019 (9)
C400.0287 (9)0.0220 (9)0.0323 (11)−0.0062 (7)−0.0107 (8)−0.0043 (7)
C410.0512 (13)0.0356 (11)0.0259 (11)−0.0161 (10)−0.0078 (9)−0.0024 (8)
C420.0446 (12)0.0386 (12)0.0376 (13)−0.0197 (10)−0.0093 (10)−0.0008 (9)
C430.0441 (13)0.0390 (12)0.0430 (14)−0.0132 (10)−0.0106 (10)−0.0010 (10)
C440.0540 (14)0.0350 (12)0.0443 (14)−0.0183 (11)−0.0070 (11)−0.0032 (10)
C450.0497 (14)0.0477 (14)0.0492 (15)−0.0252 (11)−0.0091 (11)−0.0082 (11)
C460.0414 (12)0.0448 (13)0.0413 (14)−0.0107 (10)−0.0087 (10)−0.0072 (10)
C470.0615 (15)0.0347 (12)0.0323 (12)−0.0105 (11)−0.0149 (11)0.0006 (9)
C480.0486 (12)0.0201 (9)0.0331 (11)−0.0142 (9)−0.0106 (10)0.0034 (8)
C490.0347 (11)0.0275 (10)0.0410 (12)−0.0128 (8)−0.0098 (9)0.0013 (9)
C500.0397 (11)0.0229 (10)0.0441 (13)−0.0091 (8)−0.0129 (10)−0.0016 (9)
C510.0366 (11)0.0225 (9)0.0494 (13)−0.0121 (8)−0.0209 (10)0.0040 (9)
C520.0312 (11)0.0279 (10)0.0610 (16)−0.0132 (9)−0.0094 (10)0.0039 (10)
C530.0313 (10)0.0229 (10)0.0580 (15)−0.0091 (8)−0.0086 (10)−0.0031 (9)
C540.0471 (15)0.0362 (15)0.124 (3)−0.0180 (12)−0.0084 (17)0.0222 (17)
C550.0439 (14)0.0302 (12)0.090 (2)−0.0126 (10)0.0005 (14)0.0053 (13)
C560.0398 (12)0.0246 (10)0.0636 (16)−0.0146 (9)−0.0251 (11)0.0071 (10)
C570.097 (2)0.0343 (13)0.0631 (18)−0.0307 (14)−0.0328 (16)0.0016 (12)
C580.107 (3)0.0350 (14)0.087 (2)−0.0307 (16)−0.050 (2)0.0001 (14)
C590.0442 (12)0.0235 (10)0.0394 (12)−0.0129 (9)−0.0085 (10)0.0026 (8)
C600.0525 (13)0.0221 (10)0.0448 (14)−0.0082 (9)−0.0153 (11)−0.0014 (9)
C610.0475 (12)0.0211 (9)0.0455 (13)−0.0145 (9)−0.0272 (10)0.0055 (8)
C620.0373 (11)0.0284 (10)0.0585 (15)−0.0168 (9)−0.0160 (11)0.0047 (10)
C630.0348 (11)0.0227 (9)0.0517 (14)−0.0103 (8)−0.0114 (10)−0.0015 (9)
C640.125 (3)0.0292 (12)0.072 (2)−0.0256 (15)−0.062 (2)0.0016 (13)
C650.110 (2)0.0300 (12)0.0532 (17)−0.0282 (14)−0.0406 (16)0.0037 (11)
C660.0572 (14)0.0236 (10)0.0619 (16)−0.0180 (10)−0.0385 (13)0.0077 (10)
C670.0432 (14)0.0297 (12)0.105 (2)−0.0162 (10)−0.0260 (15)0.0120 (13)
C680.0514 (16)0.0344 (14)0.133 (3)−0.0244 (12)−0.0399 (18)0.0235 (16)
O1W0.0382 (8)0.0189 (6)0.0551 (10)−0.0080 (6)−0.0241 (7)0.0009 (6)
O10.0510 (10)0.0392 (9)0.0437 (10)−0.0072 (7)−0.0170 (8)−0.0072 (7)
O2W0.0341 (8)0.0186 (6)0.0616 (11)−0.0052 (6)−0.0234 (7)−0.0010 (7)
O20.0398 (8)0.0425 (9)0.0372 (9)−0.0175 (7)−0.0121 (7)0.0004 (7)
O30.0497 (11)0.0425 (10)0.0940 (16)−0.0228 (9)−0.0057 (10)−0.0149 (10)
O3W0.0573 (12)0.0537 (11)0.0600 (12)−0.0233 (9)−0.0219 (10)0.0168 (9)
O40.0323 (8)0.0229 (7)0.0730 (12)−0.0109 (6)−0.0184 (8)0.0110 (7)
O50.0307 (7)0.0217 (7)0.0602 (10)−0.0064 (6)−0.0219 (7)−0.0039 (6)
O60.0950 (15)0.0282 (8)0.0475 (11)−0.0250 (9)−0.0109 (10)−0.0005 (7)
O70.0590 (10)0.0458 (9)0.0349 (9)−0.0369 (8)−0.0130 (7)0.0053 (7)
O80.0317 (7)0.0202 (6)0.0348 (8)−0.0119 (5)−0.0072 (6)0.0034 (5)
O90.0560 (10)0.0330 (8)0.0751 (13)−0.0145 (8)−0.0345 (10)0.0077 (8)
O100.0310 (7)0.0215 (6)0.0324 (8)−0.0133 (5)−0.0086 (6)0.0059 (5)
O110.0488 (9)0.0330 (7)0.0341 (8)−0.0269 (7)−0.0158 (7)0.0076 (6)
O120.0485 (9)0.0320 (8)0.0500 (10)−0.0185 (7)−0.0114 (8)0.0121 (7)
O130.0269 (7)0.0196 (6)0.0590 (10)−0.0072 (5)−0.0145 (7)−0.0029 (6)
O140.0302 (7)0.0196 (7)0.0609 (11)−0.0067 (6)−0.0072 (7)0.0028 (6)
O150.0759 (12)0.0237 (8)0.0580 (11)−0.0152 (8)−0.0232 (9)−0.0001 (7)
O160.0394 (8)0.0357 (8)0.0404 (9)−0.0148 (7)−0.0116 (7)−0.0034 (7)
O170.0472 (9)0.0405 (9)0.0424 (10)0.0024 (7)−0.0176 (8)−0.0064 (7)
O180.0734 (13)0.0327 (9)0.1064 (18)−0.0184 (9)−0.0292 (12)−0.0041 (10)

Geometric parameters (Å, °)

Er1—O1W2.3588 (14)C28—O121.375 (2)
Er1—O52.3690 (13)C28—C291.385 (3)
Er1—O102.3706 (12)C29—C301.382 (3)
Er1—O42.3759 (14)C29—H290.9300
Er1—O22.3842 (16)C30—H300.9300
Er1—O72.3990 (15)C31—C321.503 (3)
Er1—O12.5110 (17)C31—H31A0.9700
Er1—N12.5166 (15)C31—H31B0.9700
Er1—O82.5367 (14)C32—O111.251 (2)
Er1—C162.7252 (19)C32—O101.275 (2)
Er1—C82.823 (2)C33—C381.382 (3)
Er1—C242.840 (2)C33—C341.391 (3)
Er2—O82.3195 (12)C33—C391.508 (3)
Er2—O142.3613 (14)C34—C351.372 (3)
Er2—O2W2.3630 (14)C34—H340.9300
Er2—O132.3816 (13)C35—C361.380 (3)
Er2—O162.3964 (15)C35—H350.9300
Er2—O172.4762 (16)C36—O151.364 (2)
Er2—O102.4986 (14)C36—C371.383 (3)
Er2—O112.5271 (14)C37—C381.387 (3)
Er2—N32.5365 (15)C37—H370.9300
Er2—C402.7432 (19)C38—H380.9300
Er2—C482.815 (2)C39—C401.508 (3)
Er2—C322.892 (2)C39—H39A0.9700
N1—C491.336 (3)C39—H39B0.9700
N1—C531.340 (3)C40—O141.256 (2)
N2—C581.316 (4)C40—O131.262 (2)
N2—C541.319 (4)C41—C461.384 (3)
N3—C591.333 (3)C41—C421.391 (3)
N3—C631.341 (3)C41—C471.514 (3)
N4—C641.323 (4)C42—C431.378 (3)
N4—C681.328 (4)C42—H420.9300
C1—C21.383 (3)C43—C441.381 (3)
C1—C61.386 (3)C43—H430.9300
C1—C71.518 (3)C44—O181.364 (3)
C2—C31.383 (3)C44—C451.383 (4)
C2—H20.9300C45—C461.382 (3)
C3—C41.374 (3)C45—H450.9300
C3—H30.9300C46—H460.9300
C4—O31.375 (3)C47—C481.511 (3)
C4—C51.375 (3)C47—H47A0.9700
C5—C61.380 (3)C47—H47B0.9700
C5—H50.9300C48—O161.252 (3)
C6—H60.9300C48—O171.263 (3)
C7—C81.506 (3)C49—C501.384 (3)
C7—H7A0.9700C49—H490.9300
C7—H7B0.9700C50—C511.387 (3)
C8—O11.256 (3)C50—H500.9300
C8—O21.258 (3)C51—C521.386 (3)
C9—C101.373 (3)C51—C561.485 (3)
C9—C141.385 (3)C52—C531.378 (3)
C9—C151.505 (3)C52—H520.9300
C10—C111.386 (3)C53—H530.9300
C10—H100.9300C54—C551.383 (3)
C11—C121.375 (3)C54—H540.9300
C11—H110.9300C55—C561.380 (4)
C12—O61.371 (2)C55—H550.9300
C12—C131.373 (3)C56—C571.377 (4)
C13—C141.375 (3)C57—C581.385 (4)
C13—H130.9300C57—H570.9300
C14—H140.9300C58—H580.9300
C15—C161.509 (3)C59—C601.386 (3)
C15—H15A0.9700C59—H590.9300
C15—H15B0.9700C60—C611.378 (3)
C16—O41.246 (2)C60—H600.9300
C16—O51.265 (2)C61—C621.387 (3)
C17—C181.384 (4)C61—C661.490 (3)
C17—C221.385 (3)C62—C631.379 (3)
C17—C231.511 (3)C62—H620.9300
C18—C191.389 (3)C63—H630.9300
C18—H180.9300C64—C651.386 (3)
C19—C201.385 (3)C64—H640.9300
C19—H190.9300C65—C661.387 (4)
C20—O91.371 (3)C65—H650.9300
C20—C211.380 (3)C66—C671.385 (4)
C21—C221.381 (3)C67—C681.384 (3)
C21—H210.9300C67—H670.9300
C22—H220.9300C68—H680.9300
C23—C241.506 (3)O1W—H1WA0.83 (4)
C23—H23A0.9700O1W—H1WB0.830 (17)
C23—H23B0.9700O2W—H2WA0.83 (4)
C24—O71.243 (2)O2W—H2WB0.812 (17)
C24—O81.268 (2)O3—H3B0.8200
C25—C301.380 (3)O3W—H3WB0.82 (4)
C25—C261.385 (3)O3W—H3WA0.84 (4)
C25—C311.506 (3)O6—H6B0.8200
C26—C271.391 (3)O9—H9A0.8200
C26—H260.9300O12—H120.8200
C27—C281.373 (3)O15—H15C0.8200
C27—H270.9300O18—H18B0.8200
O1W—Er1—O5145.68 (5)C19—C18—H18119.3
O1W—Er1—O1079.74 (5)C20—C19—C18119.6 (2)
O5—Er1—O1073.55 (5)C20—C19—H19120.2
O1W—Er1—O4149.18 (5)C18—C19—H19120.2
O5—Er1—O454.63 (5)O9—C20—C21118.1 (2)
O10—Er1—O4127.84 (5)O9—C20—C19122.3 (2)
O1W—Er1—O274.64 (6)C21—C20—C19119.6 (2)
O5—Er1—O2122.21 (5)C20—C21—C22120.1 (2)
O10—Er1—O283.66 (5)C20—C21—H21119.9
O4—Er1—O2117.27 (6)C22—C21—H21119.9
O1W—Er1—O777.95 (6)C21—C22—C17121.3 (2)
O5—Er1—O795.38 (6)C21—C22—H22119.3
O10—Er1—O7117.22 (5)C17—C22—H22119.3
O4—Er1—O776.65 (6)C24—C23—C17112.22 (19)
O2—Er1—O7141.64 (5)C24—C23—H23A109.2
O1W—Er1—O1127.08 (6)C17—C23—H23A109.2
O5—Er1—O175.31 (5)C24—C23—H23B109.2
O10—Er1—O191.26 (5)C17—C23—H23B109.2
O4—Er1—O171.84 (6)H23A—C23—H23B107.9
O2—Er1—O152.49 (5)O7—C24—O8119.71 (19)
O7—Er1—O1146.60 (5)O7—C24—C23120.06 (18)
O1W—Er1—N180.79 (5)O8—C24—C23120.22 (18)
O5—Er1—N1130.56 (5)O7—C24—Er156.90 (11)
O10—Er1—N1153.76 (5)O8—C24—Er163.28 (11)
O4—Er1—N176.11 (5)C23—C24—Er1171.85 (16)
O2—Er1—N174.32 (5)C30—C25—C26118.20 (19)
O7—Er1—N175.24 (5)C30—C25—C31119.9 (2)
O1—Er1—N186.59 (6)C26—C25—C31121.9 (2)
O1W—Er1—O873.77 (5)C25—C26—C27121.1 (2)
O5—Er1—O875.72 (5)C25—C26—H26119.5
O10—Er1—O865.45 (4)C27—C26—H26119.5
O4—Er1—O8103.26 (5)C28—C27—C26119.7 (2)
O2—Er1—O8138.92 (5)C28—C27—H27120.2
O7—Er1—O852.10 (4)C26—C27—H27120.2
O1—Er1—O8146.97 (5)C27—C28—O12122.33 (19)
N1—Er1—O8124.76 (5)C27—C28—C29120.08 (19)
O1W—Er1—C16163.82 (6)O12—C28—C29117.6 (2)
O5—Er1—C1627.64 (5)C30—C29—C28119.6 (2)
O10—Er1—C16100.67 (5)C30—C29—H29120.2
O4—Er1—C1627.18 (5)C28—C29—H29120.2
O2—Er1—C16121.53 (6)C25—C30—C29121.4 (2)
O7—Er1—C1687.70 (6)C25—C30—H30119.3
O1—Er1—C1669.08 (6)C29—C30—H30119.3
N1—Er1—C16102.92 (5)C32—C31—C25114.86 (17)
O8—Er1—C1691.58 (5)C32—C31—H31A108.6
O1W—Er1—C8100.87 (6)C25—C31—H31A108.6
O5—Er1—C8100.00 (6)C32—C31—H31B108.6
O10—Er1—C889.38 (5)C25—C31—H31B108.6
O4—Er1—C893.65 (6)H31A—C31—H31B107.5
O2—Er1—C826.26 (6)O11—C32—O10119.11 (19)
O7—Er1—C8152.25 (5)O11—C32—C31122.79 (17)
O1—Er1—C826.41 (6)O10—C32—C31118.09 (17)
N1—Er1—C877.21 (6)O11—C32—Er260.70 (11)
O8—Er1—C8154.75 (5)O10—C32—Er259.49 (10)
C16—Er1—C895.30 (6)C31—C32—Er2169.24 (15)
O1W—Er1—C2472.34 (6)C38—C33—C34117.80 (18)
O5—Er1—C2487.05 (6)C38—C33—C39121.43 (19)
O10—Er1—C2491.52 (5)C34—C33—C39120.77 (19)
O4—Er1—C2491.39 (6)C35—C34—C33121.5 (2)
O2—Er1—C24146.96 (6)C35—C34—H34119.3
O7—Er1—C2425.73 (5)C33—C34—H34119.3
O1—Er1—C24160.55 (6)C34—C35—C36120.2 (2)
N1—Er1—C2499.15 (6)C34—C35—H35119.9
O8—Er1—C2426.51 (5)C36—C35—H35119.9
C16—Er1—C2491.50 (6)O15—C36—C35117.8 (2)
C8—Er1—C24172.85 (6)O15—C36—C37122.7 (2)
O8—Er2—O14129.11 (5)C35—C36—C37119.51 (19)
O8—Er2—O2W78.64 (5)C36—C37—C38119.8 (2)
O14—Er2—O2W143.03 (6)C36—C37—H37120.1
O8—Er2—O1375.23 (5)C38—C37—H37120.1
O14—Er2—O1354.55 (5)C33—C38—C37121.3 (2)
O2W—Er2—O13148.14 (5)C33—C38—H38119.4
O8—Er2—O1680.14 (5)C37—C38—H38119.4
O14—Er2—O16127.19 (5)C40—C39—C33115.33 (16)
O2W—Er2—O1675.46 (6)C40—C39—H39A108.4
O13—Er2—O16116.92 (5)C33—C39—H39A108.4
O8—Er2—O1799.32 (5)C40—C39—H39B108.4
O14—Er2—O1777.25 (6)C33—C39—H39B108.4
O2W—Er2—O17127.31 (6)H39A—C39—H39B107.5
O13—Er2—O1775.31 (5)O14—C40—O13119.36 (17)
O16—Er2—O1752.78 (5)O14—C40—C39118.66 (17)
O8—Er2—O1066.80 (5)O13—C40—C39121.96 (17)
O14—Er2—O1091.38 (5)O14—C40—Er259.22 (10)
O2W—Er2—O1077.23 (5)O13—C40—Er260.15 (9)
O13—Er2—O1075.92 (5)C39—C40—Er2176.75 (14)
O16—Er2—O10140.46 (5)C46—C41—C42117.2 (2)
O17—Er2—O10150.48 (5)C46—C41—C47120.8 (2)
O8—Er2—O11115.63 (5)C42—C41—C47122.0 (2)
O14—Er2—O1172.76 (5)C43—C42—C41122.0 (2)
O2W—Er2—O1172.76 (6)C43—C42—H42119.0
O13—Er2—O11102.66 (5)C41—C42—H42119.0
O16—Er2—O11140.23 (5)C42—C43—C44119.6 (2)
O17—Er2—O11143.49 (5)C42—C43—H43120.2
O10—Er2—O1151.35 (4)C44—C43—H43120.2
O8—Er2—N3153.52 (5)O18—C44—C43117.6 (2)
O14—Er2—N376.20 (5)O18—C44—C45122.7 (2)
O2W—Er2—N383.00 (5)C43—C44—C45119.7 (2)
O13—Er2—N3127.36 (5)C46—C45—C44119.9 (2)
O16—Er2—N376.87 (5)C46—C45—H45120.1
O17—Er2—N376.94 (6)C44—C45—H45120.1
O10—Er2—N3127.16 (5)C45—C46—C41121.7 (2)
O11—Er2—N376.10 (5)C45—C46—H46119.2
O8—Er2—C40102.34 (5)C41—C46—H46119.2
O14—Er2—C4027.19 (5)C48—C47—C41111.65 (18)
O2W—Er2—C40158.33 (6)C48—C47—H47A109.3
O13—Er2—C4027.36 (5)C41—C47—H47A109.3
O16—Er2—C40126.18 (6)C48—C47—H47B109.3
O17—Er2—C4074.19 (6)C41—C47—H47B109.3
O10—Er2—C4083.26 (5)H47A—C47—H47B108.0
O11—Er2—C4087.74 (5)O16—C48—O17119.0 (2)
N3—Er2—C40101.76 (5)O16—C48—C47120.3 (2)
O8—Er2—C4891.40 (5)O17—C48—C47120.7 (2)
O14—Er2—C48101.95 (6)O16—C48—Er257.88 (11)
O2W—Er2—C48100.90 (6)O17—C48—Er261.55 (11)
O13—Er2—C4897.68 (6)C47—C48—Er2172.10 (14)
O16—Er2—C4826.26 (6)N1—C49—C50123.4 (2)
O17—Er2—C4826.64 (6)N1—C49—H49118.3
O10—Er2—C48158.14 (5)C50—C49—H49118.3
O11—Er2—C48149.45 (5)C49—C50—C51119.5 (2)
N3—Er2—C4873.45 (6)C49—C50—H50120.3
C40—Er2—C48100.72 (6)C51—C50—H50120.3
O8—Er2—C3290.60 (5)C52—C51—C50117.21 (18)
O14—Er2—C3283.90 (6)C52—C51—C56121.8 (2)
O2W—Er2—C3270.41 (6)C50—C51—C56121.0 (2)
O13—Er2—C3291.82 (5)C53—C52—C51119.7 (2)
O16—Er2—C32145.78 (5)C53—C52—H52120.1
O17—Er2—C32160.99 (5)C51—C52—H52120.1
O10—Er2—C3226.08 (5)N1—C53—C52123.4 (2)
O11—Er2—C3225.57 (5)N1—C53—H53118.3
N3—Er2—C32101.08 (5)C52—C53—H53118.3
C40—Er2—C3287.92 (6)N2—C54—C55124.7 (3)
C48—Er2—C32170.50 (6)N2—C54—H54117.7
C49—N1—C53116.82 (17)C55—C54—H54117.7
C49—N1—Er1123.99 (13)C56—C55—C54119.0 (3)
C53—N1—Er1118.96 (13)C56—C55—H55120.5
C58—N2—C54115.9 (2)C54—C55—H55120.5
C59—N3—C63116.50 (17)C57—C56—C55116.7 (2)
C59—N3—Er2121.24 (13)C57—C56—C51122.2 (2)
C63—N3—Er2122.07 (13)C55—C56—C51121.1 (2)
C64—N4—C68116.3 (2)C56—C57—C58119.6 (3)
C2—C1—C6117.8 (2)C56—C57—H57120.2
C2—C1—C7122.2 (2)C58—C57—H57120.2
C6—C1—C7119.97 (19)N2—C58—C57124.1 (3)
C3—C2—C1121.1 (2)N2—C58—H58118.0
C3—C2—H2119.4C57—C58—H58118.0
C1—C2—H2119.4N3—C59—C60123.2 (2)
C4—C3—C2120.1 (2)N3—C59—H59118.4
C4—C3—H3119.9C60—C59—H59118.4
C2—C3—H3119.9C61—C60—C59120.3 (2)
C3—C4—O3118.6 (2)C61—C60—H60119.9
C3—C4—C5119.7 (2)C59—C60—H60119.9
O3—C4—C5121.7 (2)C60—C61—C62116.39 (18)
C4—C5—C6119.9 (2)C60—C61—C66120.9 (2)
C4—C5—H5120.1C62—C61—C66122.6 (2)
C6—C5—H5120.1C63—C62—C61120.0 (2)
C5—C6—C1121.4 (2)C63—C62—H62120.0
C5—C6—H6119.3C61—C62—H62120.0
C1—C6—H6119.3N3—C63—C62123.4 (2)
C8—C7—C1111.32 (17)N3—C63—H63118.3
C8—C7—H7A109.4C62—C63—H63118.3
C1—C7—H7A109.4N4—C64—C65123.9 (3)
C8—C7—H7B109.4N4—C64—H64118.1
C1—C7—H7B109.4C65—C64—H64118.1
H7A—C7—H7B108.0C64—C65—C66119.5 (3)
O1—C8—O2119.2 (2)C64—C65—H65120.3
O1—C8—C7121.0 (2)C66—C65—H65120.3
O2—C8—C7119.8 (2)C67—C66—C65116.8 (2)
O1—C8—Er162.80 (12)C67—C66—C61121.1 (2)
O2—C8—Er157.01 (11)C65—C66—C61122.0 (2)
C7—C8—Er1169.72 (14)C68—C67—C66119.1 (3)
C10—C9—C14117.3 (2)C68—C67—H67120.5
C10—C9—C15121.9 (2)C66—C67—H67120.5
C14—C9—C15120.8 (2)N4—C68—C67124.3 (3)
C9—C10—C11122.2 (2)N4—C68—H68117.8
C9—C10—H10118.9C67—C68—H68117.8
C11—C10—H10118.9Er1—O1W—H1WA123 (2)
C12—C11—C10119.1 (2)Er1—O1W—H1WB132 (2)
C12—C11—H11120.4H1WA—O1W—H1WB103 (2)
C10—C11—H11120.4C8—O1—Er190.79 (13)
O6—C12—C13117.7 (2)Er2—O2W—H2WA123 (2)
O6—C12—C11122.5 (2)Er2—O2W—H2WB131 (2)
C13—C12—C11119.8 (2)H2WA—O2W—H2WB105 (2)
C12—C13—C14120.2 (2)C8—O2—Er196.74 (13)
C12—C13—H13119.9C4—O3—H3B109.5
C14—C13—H13119.9H3WB—O3W—H3WA105 (2)
C13—C14—C9121.4 (2)C16—O4—Er192.22 (12)
C13—C14—H14119.3C16—O5—Er192.05 (11)
C9—C14—H14119.3C12—O6—H6B109.5
C9—C15—C16115.35 (18)C24—O7—Er197.37 (12)
C9—C15—H15A108.4C24—O8—Er2153.46 (14)
C16—C15—H15A108.4C24—O8—Er190.21 (12)
C9—C15—H15B108.4Er2—O8—Er1114.09 (5)
C16—C15—H15B108.4C20—O9—H9A109.5
H15A—C15—H15B107.5C32—O10—Er1142.26 (13)
O4—C16—O5120.27 (18)C32—O10—Er294.43 (12)
O4—C16—C15119.32 (18)Er1—O10—Er2113.66 (5)
O5—C16—C15120.38 (17)C32—O11—Er293.72 (12)
O4—C16—Er160.59 (10)C28—O12—H12109.5
O5—C16—Er160.31 (10)C40—O13—Er292.48 (11)
C15—C16—Er1170.25 (17)C40—O14—Er293.59 (11)
C18—C17—C22118.0 (2)C36—O15—H15C109.5
C18—C17—C23120.9 (2)C48—O16—Er295.86 (13)
C22—C17—C23121.1 (2)C48—O17—Er291.80 (13)
C17—C18—C19121.4 (2)C44—O18—H18B109.5
C17—C18—H18119.3
O1W—Er1—N1—C4951.42 (17)C40—Er2—C48—O17−5.39 (13)
O5—Er1—N1—C49−144.33 (15)C53—N1—C49—C501.6 (3)
O10—Er1—N1—C498.9 (2)Er1—N1—C49—C50−172.94 (16)
O4—Er1—N1—C49−149.13 (18)N1—C49—C50—C510.4 (3)
O2—Er1—N1—C49−25.09 (16)C49—C50—C51—C52−2.0 (3)
O7—Er1—N1—C49131.28 (17)C49—C50—C51—C56176.0 (2)
O1—Er1—N1—C49−77.00 (17)C50—C51—C52—C531.6 (3)
O8—Er1—N1—C49114.21 (16)C56—C51—C52—C53−176.3 (2)
C16—Er1—N1—C49−144.62 (17)C49—N1—C53—C52−1.9 (3)
C8—Er1—N1—C49−52.03 (17)Er1—N1—C53—C52172.85 (18)
C24—Er1—N1—C49121.70 (17)C51—C52—C53—N10.4 (4)
O1W—Er1—N1—C53−122.96 (17)C58—N2—C54—C552.1 (5)
O5—Er1—N1—C5341.28 (19)N2—C54—C55—C56−1.1 (5)
O10—Er1—N1—C53−165.47 (14)C54—C55—C56—C57−1.3 (4)
O4—Er1—N1—C5336.48 (16)C54—C55—C56—C51175.8 (2)
O2—Er1—N1—C53160.52 (17)C52—C51—C56—C57−154.9 (3)
O7—Er1—N1—C53−43.10 (16)C50—C51—C56—C5727.2 (3)
O1—Er1—N1—C53108.61 (16)C52—C51—C56—C5528.1 (3)
O8—Er1—N1—C53−60.17 (17)C50—C51—C56—C55−149.8 (2)
C16—Er1—N1—C5340.99 (17)C55—C56—C57—C582.7 (4)
C8—Er1—N1—C53133.58 (17)C51—C56—C57—C58−174.4 (3)
C24—Er1—N1—C53−52.69 (17)C54—N2—C58—C57−0.5 (5)
O8—Er2—N3—C590.2 (2)C56—C57—C58—N2−1.9 (5)
O14—Er2—N3—C59164.69 (17)C63—N3—C59—C60−2.1 (3)
O2W—Er2—N3—C59−46.10 (16)Er2—N3—C59—C60172.80 (17)
O13—Er2—N3—C59144.55 (15)N3—C59—C60—C61−1.6 (4)
O16—Er2—N3—C5930.55 (16)C59—C60—C61—C624.1 (3)
O17—Er2—N3—C5984.85 (16)C59—C60—C61—C66−173.2 (2)
O10—Er2—N3—C59−114.23 (16)C60—C61—C62—C63−3.0 (3)
O11—Er2—N3—C59−120.00 (16)C66—C61—C62—C63174.3 (2)
C40—Er2—N3—C59155.34 (16)C59—N3—C63—C623.4 (3)
C48—Er2—N3—C5957.51 (16)Er2—N3—C63—C62−171.53 (17)
C32—Er2—N3—C59−114.49 (16)C61—C62—C63—N3−0.8 (4)
O8—Er2—N3—C63174.81 (14)C68—N4—C64—C650.7 (4)
O14—Er2—N3—C63−20.66 (16)N4—C64—C65—C661.4 (4)
O2W—Er2—N3—C63128.56 (17)C64—C65—C66—C67−2.1 (4)
O13—Er2—N3—C63−40.79 (19)C64—C65—C66—C61174.5 (2)
O16—Er2—N3—C63−154.80 (17)C60—C61—C66—C67159.6 (2)
O17—Er2—N3—C63−100.50 (17)C62—C61—C66—C67−17.6 (3)
O10—Er2—N3—C6360.43 (18)C60—C61—C66—C65−16.8 (3)
O11—Er2—N3—C6354.66 (16)C62—C61—C66—C65166.0 (2)
C40—Er2—N3—C63−30.00 (17)C65—C66—C67—C680.9 (4)
C48—Er2—N3—C63−127.84 (17)C61—C66—C67—C68−175.7 (2)
C32—Er2—N3—C6360.16 (17)C64—N4—C68—C67−2.0 (4)
C6—C1—C2—C3−1.1 (4)C66—C67—C68—N41.2 (5)
C7—C1—C2—C3−179.4 (2)O2—C8—O1—Er18.74 (19)
C1—C2—C3—C40.6 (4)C7—C8—O1—Er1−169.05 (16)
C2—C3—C4—O3−179.8 (2)O1W—Er1—O1—C8−8.01 (14)
C2—C3—C4—C51.0 (4)O5—Er1—O1—C8−158.70 (13)
O3—C4—C5—C6178.8 (2)O10—Er1—O1—C8−86.08 (12)
C3—C4—C5—C6−1.9 (4)O4—Er1—O1—C8144.24 (13)
C4—C5—C6—C11.4 (4)O2—Er1—O1—C8−5.06 (11)
C2—C1—C6—C50.1 (4)O7—Er1—O1—C8124.10 (13)
C7—C1—C6—C5178.5 (2)N1—Er1—O1—C867.75 (12)
C2—C1—C7—C8−47.9 (3)O8—Er1—O1—C8−129.30 (12)
C6—C1—C7—C8133.8 (2)C16—Er1—O1—C8172.97 (13)
C1—C7—C8—O196.6 (2)C24—Er1—O1—C8175.78 (14)
C1—C7—C8—O2−81.2 (2)O1—C8—O2—Er1−9.3 (2)
C1—C7—C8—Er1−12.1 (10)C7—C8—O2—Er1168.54 (15)
O1W—Er1—C8—O1173.50 (12)O1W—Er1—O2—C8−177.35 (12)
O5—Er1—C8—O120.91 (13)O5—Er1—O2—C835.60 (13)
O10—Er1—C8—O194.08 (12)O10—Er1—O2—C8101.59 (12)
O4—Er1—C8—O1−33.81 (12)O4—Er1—O2—C8−27.99 (13)
O2—Er1—C8—O1170.90 (19)O7—Er1—O2—C8−131.46 (12)
O7—Er1—C8—O1−101.76 (16)O1—Er1—O2—C85.09 (11)
N1—Er1—C8—O1−108.66 (12)N1—Er1—O2—C8−92.81 (12)
O8—Er1—C8—O198.58 (16)O8—Er1—O2—C8141.80 (11)
C16—Er1—C8—O1−6.59 (13)C16—Er1—O2—C82.94 (14)
O1W—Er1—C8—O22.60 (12)C24—Er1—O2—C8−175.42 (11)
O5—Er1—C8—O2−149.99 (11)O5—C16—O4—Er19.2 (2)
O10—Er1—C8—O2−76.82 (12)C15—C16—O4—Er1−168.8 (2)
O4—Er1—C8—O2155.30 (12)O1W—Er1—O4—C16−147.08 (13)
O7—Er1—C8—O287.34 (17)O5—Er1—O4—C16−5.18 (12)
O1—Er1—C8—O2−170.90 (19)O10—Er1—O4—C162.44 (16)
N1—Er1—C8—O280.44 (12)O2—Er1—O4—C16106.51 (14)
O8—Er1—C8—O2−72.31 (17)O7—Er1—O4—C16−111.83 (14)
C16—Er1—C8—O2−177.49 (12)O1—Er1—O4—C1679.40 (14)
O1W—Er1—C8—C7−72.5 (9)N1—Er1—O4—C16170.35 (14)
O5—Er1—C8—C7134.9 (9)O8—Er1—O4—C16−66.62 (14)
O10—Er1—C8—C7−151.9 (9)C8—Er1—O4—C1694.50 (14)
O4—Er1—C8—C780.2 (9)C24—Er1—O4—C16−90.57 (14)
O2—Er1—C8—C7−75.1 (9)O4—C16—O5—Er1−9.2 (2)
O7—Er1—C8—C712.3 (10)C15—C16—O5—Er1168.8 (2)
O1—Er1—C8—C7114.0 (9)O1W—Er1—O5—C16151.00 (13)
N1—Er1—C8—C75.4 (9)O10—Er1—O5—C16−168.64 (14)
O8—Er1—C8—C7−147.4 (8)O4—Er1—O5—C165.10 (12)
C16—Er1—C8—C7107.4 (9)O2—Er1—O5—C16−97.44 (13)
C14—C9—C10—C110.8 (4)O7—Er1—O5—C1674.54 (13)
C15—C9—C10—C11−179.1 (2)O1—Er1—O5—C16−72.83 (13)
C9—C10—C11—C120.2 (4)N1—Er1—O5—C16−0.62 (16)
C10—C11—C12—O6178.7 (2)O8—Er1—O5—C16123.19 (13)
C10—C11—C12—C13−0.9 (4)C8—Er1—O5—C16−82.28 (13)
O6—C12—C13—C14−178.9 (2)C24—Er1—O5—C1698.90 (13)
C11—C12—C13—C140.7 (4)O8—C24—O7—Er1−8.1 (2)
C12—C13—C14—C90.3 (4)C23—C24—O7—Er1171.12 (19)
C10—C9—C14—C13−1.0 (4)O1W—Er1—O7—C24−74.24 (13)
C15—C9—C14—C13178.9 (2)O5—Er1—O7—C2471.67 (13)
C10—C9—C15—C16−97.4 (3)O10—Er1—O7—C24−2.58 (15)
C14—C9—C15—C1682.8 (3)O4—Er1—O7—C24123.36 (14)
C9—C15—C16—O4172.5 (2)O2—Er1—O7—C24−119.31 (13)
C9—C15—C16—O5−5.5 (4)O1—Er1—O7—C24143.00 (13)
O1W—Er1—C16—O492.0 (2)N1—Er1—O7—C24−157.75 (14)
O5—Er1—C16—O4170.9 (2)O8—Er1—O7—C244.45 (12)
O10—Er1—C16—O4−178.04 (13)C16—Er1—O7—C2498.25 (14)
O2—Er1—C16—O4−88.97 (14)C8—Er1—O7—C24−164.72 (14)
O7—Er1—C16—O464.68 (14)O7—C24—O8—Er2164.66 (19)
O1—Er1—C16—O4−90.80 (14)C23—C24—O8—Er2−14.6 (4)
N1—Er1—C16—O4−9.61 (14)Er1—C24—O8—Er2157.0 (3)
O8—Er1—C16—O4116.65 (13)O7—C24—O8—Er17.6 (2)
C8—Er1—C16—O4−87.67 (14)C23—C24—O8—Er1−171.6 (2)
C24—Er1—C16—O490.13 (14)O14—Er2—O8—C24−82.9 (3)
O1W—Er1—C16—O5−78.9 (2)O2W—Er2—O8—C24124.6 (3)
O10—Er1—C16—O511.08 (13)O13—Er2—O8—C24−73.8 (3)
O4—Er1—C16—O5−170.9 (2)O16—Er2—O8—C2447.6 (3)
O2—Er1—C16—O5100.15 (13)O17—Er2—O8—C24−1.8 (3)
O7—Er1—C16—O5−106.19 (13)O10—Er2—O8—C24−154.5 (3)
O1—Er1—C16—O598.32 (13)O11—Er2—O8—C24−170.9 (3)
N1—Er1—C16—O5179.52 (12)N3—Er2—O8—C2477.6 (3)
O8—Er1—C16—O5−54.22 (13)C40—Er2—O8—C24−77.5 (3)
C8—Er1—C16—O5101.46 (13)C48—Er2—O8—C2423.8 (3)
C24—Er1—C16—O5−80.74 (13)C32—Er2—O8—C24−165.5 (3)
C22—C17—C18—C190.7 (3)O14—Er2—O8—Er171.85 (8)
C23—C17—C18—C19179.3 (2)O2W—Er2—O8—Er1−80.65 (6)
C17—C18—C19—C200.1 (4)O13—Er2—O8—Er180.95 (6)
C18—C19—C20—O9180.0 (2)O16—Er2—O8—Er1−157.65 (6)
C18—C19—C20—C21−1.0 (3)O17—Er2—O8—Er1152.95 (6)
O9—C20—C21—C22−180.0 (2)O10—Er2—O8—Er10.20 (4)
C19—C20—C21—C221.0 (3)O11—Er2—O8—Er1−16.22 (7)
C20—C21—C22—C17−0.1 (4)N3—Er2—O8—Er1−127.64 (10)
C18—C17—C22—C21−0.7 (3)C40—Er2—O8—Er177.23 (6)
C23—C17—C22—C21−179.3 (2)C48—Er2—O8—Er1178.52 (6)
C18—C17—C23—C24−78.7 (3)C32—Er2—O8—Er1−10.77 (6)
C22—C17—C23—C2499.8 (3)O1W—Er1—O8—C2482.86 (12)
C17—C23—C24—O7−46.4 (3)O5—Er1—O8—C24−113.04 (12)
C17—C23—C24—O8132.8 (2)O10—Er1—O8—C24168.79 (13)
O1W—Er1—C24—O798.98 (14)O4—Er1—O8—C24−65.39 (12)
O5—Er1—C24—O7−108.86 (13)O2—Er1—O8—C24123.93 (12)
O10—Er1—C24—O7177.70 (13)O7—Er1—O8—C24−4.33 (11)
O4—Er1—C24—O7−54.38 (13)O1—Er1—O8—C24−142.38 (12)
O2—Er1—C24—O797.03 (16)N1—Er1—O8—C2416.75 (13)
O1—Er1—C24—O7−84.2 (2)C16—Er1—O8—C24−90.19 (12)
N1—Er1—C24—O721.77 (14)C8—Er1—O8—C24163.83 (14)
O8—Er1—C24—O7−172.1 (2)O1W—Er1—O8—Er2−86.14 (6)
C16—Er1—C24—O7−81.57 (14)O5—Er1—O8—Er277.96 (6)
O1W—Er1—C24—O8−88.92 (11)O10—Er1—O8—Er2−0.21 (5)
O5—Er1—C24—O863.25 (11)O4—Er1—O8—Er2125.61 (6)
O10—Er1—C24—O8−10.19 (11)O2—Er1—O8—Er2−45.07 (9)
O4—Er1—C24—O8117.73 (11)O7—Er1—O8—Er2−173.33 (9)
O2—Er1—C24—O8−90.86 (14)O1—Er1—O8—Er248.62 (11)
O7—Er1—C24—O8172.1 (2)N1—Er1—O8—Er2−152.25 (6)
O1—Er1—C24—O887.9 (2)C16—Er1—O8—Er2100.81 (6)
N1—Er1—C24—O8−166.12 (11)C8—Er1—O8—Er2−5.17 (15)
C16—Er1—C24—O890.54 (11)C24—Er1—O8—Er2−169.00 (14)
C30—C25—C26—C27−0.7 (3)O11—C32—O10—Er1−151.24 (15)
C31—C25—C26—C27177.9 (2)C31—C32—O10—Er128.7 (3)
C25—C26—C27—C28−0.4 (4)Er2—C32—O10—Er1−139.3 (2)
C26—C27—C28—O12−179.0 (2)O11—C32—O10—Er2−11.97 (19)
C26—C27—C28—C291.0 (3)C31—C32—O10—Er2167.97 (17)
C27—C28—C29—C30−0.4 (3)O1W—Er1—O10—C32−148.3 (2)
O12—C28—C29—C30179.6 (2)O5—Er1—O10—C3253.5 (2)
C26—C25—C30—C291.3 (3)O4—Er1—O10—C3247.0 (2)
C31—C25—C30—C29−177.3 (2)O2—Er1—O10—C32−72.9 (2)
C28—C29—C30—C25−0.7 (4)O7—Er1—O10—C32141.0 (2)
C30—C25—C31—C3275.3 (3)O1—Er1—O10—C32−20.8 (2)
C26—C25—C31—C32−103.3 (3)N1—Er1—O10—C32−105.7 (2)
C25—C31—C32—O1112.2 (3)O8—Er1—O10—C32134.9 (2)
C25—C31—C32—O10−167.75 (19)C16—Er1—O10—C3248.1 (2)
C25—C31—C32—Er2−93.6 (7)C8—Er1—O10—C32−47.2 (2)
O8—Er2—C32—O11−168.55 (12)C24—Er1—O10—C32139.9 (2)
O14—Er2—C32—O1162.15 (12)O1W—Er1—O10—Er276.92 (6)
O2W—Er2—C32—O11−90.84 (12)O5—Er1—O10—Er2−81.30 (6)
O13—Er2—C32—O11116.21 (12)O4—Er1—O10—Er2−87.77 (8)
O16—Er2—C32—O11−95.36 (14)O2—Er1—O10—Er2152.40 (6)
O17—Er2—C32—O1169.6 (2)O7—Er1—O10—Er26.29 (8)
O10—Er2—C32—O11168.01 (19)O1—Er1—O10—Er2−155.58 (6)
N3—Er2—C32—O11−12.46 (13)N1—Er1—O10—Er2119.59 (11)
C40—Er2—C32—O1189.12 (12)O8—Er1—O10—Er20.19 (4)
O8—Er2—C32—O1023.43 (11)C16—Er1—O10—Er2−86.64 (7)
O14—Er2—C32—O10−105.86 (11)C8—Er1—O10—Er2178.08 (6)
O2W—Er2—C32—O10101.15 (11)C24—Er1—O10—Er25.17 (6)
O13—Er2—C32—O10−51.81 (11)O8—Er2—O10—C32−154.36 (12)
O16—Er2—C32—O1096.63 (13)O14—Er2—O10—C3273.09 (11)
O17—Er2—C32—O10−98.43 (18)O2W—Er2—O10—C32−71.40 (11)
O11—Er2—C32—O10−168.01 (19)O13—Er2—O10—C32125.92 (12)
N3—Er2—C32—O10179.52 (11)O16—Er2—O10—C32−118.65 (12)
C40—Er2—C32—O10−78.89 (11)O17—Er2—O10—C32139.16 (13)
O8—Er2—C32—C31−56.6 (7)O11—Er2—O10—C326.59 (11)
O14—Er2—C32—C31174.1 (7)N3—Er2—O10—C32−0.59 (13)
O2W—Er2—C32—C3121.1 (7)C40—Er2—O10—C3299.09 (11)
O13—Er2—C32—C31−131.8 (7)C48—Er2—O10—C32−158.87 (15)
O16—Er2—C32—C3116.6 (7)O8—Er2—O10—Er1−0.21 (5)
O17—Er2—C32—C31−178.5 (6)O14—Er2—O10—Er1−132.76 (6)
O10—Er2—C32—C31−80.0 (7)O2W—Er2—O10—Er182.75 (6)
O11—Er2—C32—C31112.0 (7)O13—Er2—O10—Er1−79.93 (6)
N3—Er2—C32—C3199.5 (7)O16—Er2—O10—Er135.50 (10)
C40—Er2—C32—C31−158.9 (7)O17—Er2—O10—Er1−66.68 (12)
C38—C33—C34—C35−0.5 (3)O11—Er2—O10—Er1160.75 (8)
C39—C33—C34—C35178.9 (2)N3—Er2—O10—Er1153.57 (6)
C33—C34—C35—C360.5 (3)C40—Er2—O10—Er1−106.75 (6)
C34—C35—C36—O15179.8 (2)C48—Er2—O10—Er1−4.71 (17)
C34—C35—C36—C37−0.4 (3)C32—Er2—O10—Er1154.16 (14)
O15—C36—C37—C38180.0 (2)O10—C32—O11—Er211.82 (19)
C35—C36—C37—C380.2 (3)C31—C32—O11—Er2−168.11 (19)
C34—C33—C38—C370.3 (3)O8—Er2—O11—C3212.71 (13)
C39—C33—C38—C37−179.07 (19)O14—Er2—O11—C32−113.00 (12)
C36—C37—C38—C33−0.1 (3)O2W—Er2—O11—C3280.53 (12)
C38—C33—C39—C40−114.8 (2)O13—Er2—O11—C32−66.79 (12)
C34—C33—C39—C4065.9 (3)O16—Er2—O11—C32118.93 (12)
C33—C39—C40—O14172.71 (19)O17—Er2—O11—C32−149.13 (11)
C33—C39—C40—O13−8.9 (3)O10—Er2—O11—C32−6.71 (11)
O8—Er2—C40—O14−170.85 (12)N3—Er2—O11—C32167.40 (13)
O2W—Er2—C40—O14−80.58 (19)C40—Er2—O11—C32−89.90 (12)
O13—Er2—C40—O14−178.7 (2)C48—Er2—O11—C32162.69 (13)
O16—Er2—C40—O14102.43 (13)O14—C40—O13—Er21.3 (2)
O17—Er2—C40—O1492.81 (13)C39—C40—O13—Er2−177.12 (18)
O10—Er2—C40—O14−106.44 (13)O8—Er2—O13—C40−172.07 (13)
O11—Er2—C40—O14−55.10 (13)O14—Er2—O13—C40−0.73 (11)
N3—Er2—C40—O1420.19 (13)O2W—Er2—O13—C40−136.17 (13)
C48—Er2—C40—O1495.32 (13)O16—Er2—O13—C40117.35 (12)
C32—Er2—C40—O14−80.69 (13)O17—Er2—O13—C4083.91 (12)
O8—Er2—C40—O137.85 (13)O10—Er2—O13—C40−102.79 (12)
O14—Er2—C40—O13178.7 (2)O11—Er2—O13—C40−58.54 (12)
O2W—Er2—C40—O1398.12 (18)N3—Er2—O13—C4023.50 (15)
O16—Er2—C40—O13−78.87 (13)C48—Er2—O13—C4098.51 (13)
O17—Er2—C40—O13−88.49 (13)C32—Er2—O13—C40−81.93 (12)
O10—Er2—C40—O1372.26 (12)O13—C40—O14—Er2−1.3 (2)
O11—Er2—C40—O13123.60 (12)C39—C40—O14—Er2177.16 (17)
N3—Er2—C40—O13−161.11 (12)O8—Er2—O14—C4011.55 (15)
C48—Er2—C40—O13−85.98 (12)O2W—Er2—O14—C40142.71 (12)
C32—Er2—C40—O1398.01 (12)O13—Er2—O14—C400.73 (12)
C46—C41—C42—C43−0.7 (3)O16—Er2—O14—C40−98.32 (13)
C47—C41—C42—C43177.5 (2)O17—Er2—O14—C40−80.18 (13)
C41—C42—C43—C44−1.0 (4)O10—Er2—O14—C4072.32 (13)
C42—C43—C44—O18−178.9 (2)O11—Er2—O14—C40120.90 (13)
C42—C43—C44—C451.9 (4)N3—Er2—O14—C40−159.64 (14)
O18—C44—C45—C46179.6 (2)C48—Er2—O14—C40−90.23 (13)
C43—C44—C45—C46−1.2 (4)C32—Er2—O14—C4097.35 (13)
C42—C41—C46—C451.4 (3)O17—C48—O16—Er27.7 (2)
C47—C41—C46—C45−176.8 (2)C47—C48—O16—Er2−171.02 (16)
C44—C45—C46—C41−0.5 (4)O8—Er2—O16—C48−114.09 (12)
C46—C41—C47—C48107.5 (3)O14—Er2—O16—C4818.12 (14)
C42—C41—C47—C48−70.6 (3)O2W—Er2—O16—C48165.19 (12)
C41—C47—C48—O1658.9 (3)O13—Er2—O16—C48−46.34 (13)
C41—C47—C48—O17−119.8 (2)O17—Er2—O16—C48−4.30 (11)
O8—Er2—C48—O1664.11 (12)O10—Er2—O16—C48−147.09 (11)
O14—Er2—C48—O16−165.33 (11)O11—Er2—O16—C48127.40 (12)
O2W—Er2—C48—O16−14.59 (12)N3—Er2—O16—C4879.14 (12)
O13—Er2—C48—O16139.39 (11)C40—Er2—O16—C48−15.95 (14)
O17—Er2—C48—O16172.3 (2)C32—Er2—O16—C48169.60 (11)
O10—Er2—C48—O1668.25 (19)O16—C48—O17—Er2−7.41 (19)
O11—Er2—C48—O16−89.06 (16)C47—C48—O17—Er2171.30 (17)
N3—Er2—C48—O16−93.83 (12)O8—Er2—O17—C4874.20 (12)
C40—Er2—C48—O16166.95 (11)O14—Er2—O17—C48−157.61 (13)
O8—Er2—C48—O17−108.23 (12)O2W—Er2—O17—C48−8.57 (15)
O14—Er2—C48—O1722.32 (13)O13—Er2—O17—C48146.13 (13)
O2W—Er2—C48—O17173.07 (12)O16—Er2—O17—C484.25 (11)
O13—Er2—C48—O17−32.95 (13)O10—Er2—O17—C48132.86 (12)
O16—Er2—C48—O17−172.3 (2)O11—Er2—O17—C48−122.34 (13)
O10—Er2—C48—O17−104.09 (18)N3—Er2—O17—C48−79.06 (12)
O11—Er2—C48—O1798.60 (15)C40—Er2—O17—C48174.49 (13)
N3—Er2—C48—O1793.83 (13)C32—Er2—O17—C48−165.18 (15)

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
O3—H3B···O12i0.821.932.742 (3)169
O6—H6B···O3Wii0.821.862.650 (3)160
O9—H9A···O17iii0.821.862.674 (2)173
O12—H12···O11iv0.821.942.751 (2)168
O15—H15C···O6v0.821.902.716 (3)174
O18—H18B···O9ii0.821.952.768 (3)174
O2W—H2WA···O50.83 (4)1.97 (2)2.732 (2)151 (3)
O2W—H2WB···N2ii0.81 (2)2.06 (2)2.839 (2)162 (4)
O3W—H3WB···O30.82 (4)1.99 (4)2.793 (3)167 (4)
O1W—H1WA···O130.83 (4)1.96 (2)2.7333 (19)156 (3)
O1W—H1WB···N4i0.83 (2)1.96 (2)2.781 (2)171 (3)
O3W—H3WA···O1vi0.84 (4)1.94 (2)2.778 (3)176 (4)

Symmetry codes: (i) x, y+1, z; (ii) x, y−1, z; (iii) −x, −y+1, −z; (iv) −x, −y, −z+1; (v) x−1, y+1, z; (vi) −x+1, −y+1, −z+1.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: OM2372).

References

  • Bruker (2006). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
  • Liu, J.-L., Li, H.-Q. & Zhao, G.-L. (2010). Acta Cryst. E66, m9. [PMC free article] [PubMed]
  • Sheldrick, G. M. (1996). SADABS University of Göttingen, Germany.
  • Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [PubMed]

Articles from Acta Crystallographica Section E: Structure Reports Online are provided here courtesy of International Union of Crystallography