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 November 1; 66(Pt 11): m1489.
Published online 2010 October 31. doi:  10.1107/S1600536810043643
PMCID: PMC3009163

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

Abstract

In the title dinuclear complex, [Yb2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O, the YbIII atoms are coordinated by eight O atoms from four 2-(4-hy­droxy­phen­yl)acetate (HPAA) ligands and a water mol­ecule, and one N atom from a 4,4′-bipyridine (bipy) ligand in a distorted tricapped trigonal–prismatic geometry. Whereas four HPAA ligands coordinate to just two YbIII atoms, the remaining two ligands bridge the two YbIII atoms. In the crystal structure, O—H(...)O and O—H(...)N hydrogen bonds link the mol­ecules into a three-dimensional network.

Related literature

For applications of carb­oxy­lic metal–organic complexes, see: Liu et al. (2010 [triangle]); Wang & Sevov (2008 [triangle]); Fang & Zhang (2006 [triangle]); Wang et al. (2010 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-m1489-scheme1.jpg

Experimental

Crystal data

  • [Yb2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O
  • M r = 1619.31
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-m1489-efi1.jpg
  • a = 11.6885 (1) Å
  • b = 16.1322 (2) Å
  • c = 18.456 (2) Å
  • α = 83.269 (1)°
  • β = 72.377 (1)°
  • γ = 71.441 (1)°
  • V = 3143.4 (3) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 3.04 mm−1
  • T = 296 K
  • 0.15 × 0.13 × 0.12 mm

Data collection

  • Bruker APEXII area-detector diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.640, T max = 0.694
  • 41713 measured reflections
  • 11017 independent reflections
  • 8916 reflections with I > 2σ(I)
  • R int = 0.039

Refinement

  • R[F 2 > 2σ(F 2)] = 0.025
  • wR(F 2) = 0.070
  • S = 1.12
  • 11017 reflections
  • 874 parameters
  • 9 restraints
  • H atoms treated by a mixture of independent and constrained refinement
  • Δρmax = 0.59 e Å−3
  • Δρmin = −0.66 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: XP (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/S1600536810043643/bt5388sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810043643/bt5388Isup2.hkl

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

supplementary crystallographic information

Comment

The design and synthesis of carboxylic metal–organic complexes have been of an increasing interest for decades owing to their potential practical applications in fluorescence or magnetism (Wang et al., 2010; Fang & Zhang, 2006; Wang & Sevov, 2008; Liu et al., 2010). The title compound consists of six HPPA ligands, two bipy molecules and three water molecules. In the bicentric complex, every Yb atom is coordinated by seven O atoms from four HPPA ligands, one N atom from 4,4'-bipyridine ligand and one O atom from a water molecule. The Yb atom is nine coordinated. The YbIII atom is in a distorted capped pentagonal prism environment. The Yb—O bond lengths range from 2.297 (3)–2.569 (3) Å. The Yb—N distances range from 2.494 (3)–2.509 (3) Å. The Yb—O(water) bond lengths range from 2.327 (3)–2.338 (3) Å, is slightly shorter than other Yb—O bonds. In addition, there are plenty of hydrogen bonds in the crystal structure due to the existence of dissociative water and crystal water molecules. The occurrence of numerous O—H···O involving coordinated and non-coordinated water molecules build up an intricated three-dimensional network.

Experimental

All reagents and solvents used were of commercially available quality and without purified before using. p-hydroxyphenylacetic acid (HPAA) (0.456 g, 3 mmol) and sodium hydroxide (0.12 g, 3 mmol) were mixed together in water (10 ml), then Yb[(NO3)3] (0.360 g, 1 mmol) dissolved in water (10 ml) was added to the above solution. After stirring for one hour, an ethanol (5 ml) solution of 4,4'-bipyridine (0.156 g, 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 were obtained after one week.

Refinement

H atoms excluding the water H atoms were geometrically positioned 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). The H atoms of the water molecules were located in a difference Fourier map. Their coordinates were refined using restraints [O—H = 0.82 (1)Å and H···H = 1.39 (2) Å] with Uiso(H) = 1.5Ueq(O).

Figures

Fig. 1.
The molecular structure of the title complex, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level.

Crystal data

[Yb2(C8H7O3)6(C10H8N2)2(H2O)2]·H2OZ = 2
Mr = 1619.31F(000) = 1616
Triclinic, P1Dx = 1.711 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.6885 (1) ÅCell parameters from 9903 reflections
b = 16.1322 (2) Åθ = 1.2–25.0°
c = 18.456 (2) ŵ = 3.04 mm1
α = 83.269 (1)°T = 296 K
β = 72.377 (1)°Block, colourless
γ = 71.441 (1)°0.15 × 0.13 × 0.12 mm
V = 3143.4 (3) Å3

Data collection

Bruker APEXII area-detector diffractometer11017 independent reflections
Radiation source: fine-focus sealed tube8916 reflections with I > 2σ(I)
graphiteRint = 0.039
[var phi] and ω scansθmax = 25.0°, θmin = 1.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −13→13
Tmin = 0.640, Tmax = 0.694k = −19→17
41713 measured reflectionsl = −21→21

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)] = 0.025Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.070H atoms treated by a mixture of independent and constrained refinement
S = 1.12w = 1/[σ2(Fo2) + (0.0324P)2 + 0.1358P] where P = (Fo2 + 2Fc2)/3
11017 reflections(Δ/σ)max = 0.002
874 parametersΔρmax = 0.59 e Å3
9 restraintsΔρmin = −0.66 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
Yb10.227023 (15)0.136366 (10)0.219116 (10)0.02695 (6)
Yb20.369022 (15)0.291979 (10)0.301700 (9)0.02563 (6)
N10.1895 (3)−0.0073 (2)0.21880 (19)0.0312 (8)
N20.1122 (4)−0.4310 (3)0.2713 (3)0.0636 (13)
N30.4109 (3)0.4338 (2)0.30794 (18)0.0316 (8)
N40.4624 (5)0.8643 (3)0.2729 (3)0.0650 (14)
O1W0.4082 (3)0.04386 (17)0.24614 (18)0.0357 (7)
O10.1484 (3)0.1018 (2)0.34968 (16)0.0454 (8)
O2W0.1795 (3)0.38500 (18)0.28430 (18)0.0384 (7)
O20.2446 (2)0.20067 (16)0.33258 (15)0.0310 (6)
O30.3306 (3)−0.21343 (19)0.56157 (19)0.0557 (9)
H3B0.4017−0.22780.56680.084*
O3W−0.0538 (4)0.7316 (3)0.0107 (2)0.0675 (10)
O40.5119 (2)0.14943 (16)0.29386 (17)0.0364 (7)
O50.5877 (3)0.25815 (17)0.25297 (17)0.0417 (7)
O60.7879 (3)−0.24453 (18)0.28088 (19)0.0544 (9)
H6B0.8137−0.26820.23960.082*
O70.4396 (3)0.2726 (2)0.41757 (17)0.0484 (8)
O80.2440 (3)0.34127 (19)0.42558 (16)0.0407 (7)
O90.1528 (4)0.7131 (2)0.5514 (2)0.0739 (11)
H9A0.20940.73090.55450.111*
O100.1829 (3)0.1677 (2)0.0889 (2)0.0597 (9)
O110.3566 (3)0.0745 (2)0.10141 (17)0.0491 (8)
O120.1734 (3)−0.2319 (2)−0.0129 (2)0.0671 (10)
H12A0.2349−0.2718−0.03340.081*
O130.0898 (2)0.27919 (17)0.22449 (17)0.0365 (7)
O140.0091 (3)0.17273 (18)0.23625 (19)0.0465 (8)
O15−0.1271 (3)0.66678 (19)0.14944 (19)0.0634 (10)
H15C−0.10070.67570.10360.095*
O160.3545 (2)0.23006 (16)0.18866 (15)0.0299 (6)
O170.4159 (3)0.34714 (18)0.16556 (15)0.0364 (7)
O180.3592 (3)0.62591 (18)−0.08311 (17)0.0463 (8)
H18B0.43120.6262−0.10590.069*
C10.2257 (5)0.0468 (3)0.4865 (2)0.0407 (11)
C20.3512 (5)−0.0014 (3)0.4720 (2)0.0477 (12)
H2A0.41220.02500.44530.057*
C30.3889 (4)−0.0878 (3)0.4960 (3)0.0466 (12)
H3A0.4740−0.11870.48540.056*
C40.2997 (4)−0.1277 (3)0.5358 (2)0.0394 (11)
C50.1735 (4)−0.0816 (3)0.5507 (3)0.0410 (11)
H5A0.1128−0.10850.57700.049*
C60.1380 (4)0.0046 (3)0.5262 (2)0.0418 (11)
H6A0.05280.03520.53660.050*
C70.1858 (6)0.1407 (3)0.4592 (3)0.0563 (14)
H7A0.23980.17110.46780.068*
H7B0.10030.16900.48870.068*
C80.1921 (4)0.1482 (3)0.3758 (2)0.0336 (10)
C90.7528 (4)0.0212 (3)0.2546 (2)0.0319 (9)
C100.8073 (4)−0.0319 (3)0.1930 (2)0.0376 (10)
H10A0.8363−0.00770.14530.045*
C110.8206 (4)−0.1211 (3)0.1997 (2)0.0384 (10)
H11A0.8577−0.15560.15690.046*
C120.7789 (4)−0.1581 (3)0.2699 (3)0.0370 (10)
C130.7232 (4)−0.1059 (3)0.3331 (3)0.0410 (11)
H13A0.6945−0.13020.38070.049*
C140.7105 (4)−0.0176 (3)0.3250 (2)0.0382 (11)
H14A0.67270.01700.36780.046*
C150.7384 (4)0.1179 (2)0.2472 (2)0.0350 (10)
H15A0.77980.13130.28060.042*
H15B0.78230.13070.19550.042*
C160.6061 (4)0.1776 (3)0.2652 (2)0.0304 (9)
C170.2678 (4)0.4420 (3)0.5429 (2)0.0401 (11)
C180.1482 (4)0.4916 (3)0.5393 (2)0.0430 (11)
H18A0.09250.46400.53400.052*
C190.1112 (5)0.5826 (3)0.5435 (2)0.0471 (12)
H19A0.03010.61530.54270.057*
C200.1936 (5)0.6237 (3)0.5488 (3)0.0472 (12)
C210.3114 (5)0.5753 (3)0.5539 (3)0.0504 (12)
H21A0.36690.60310.55920.060*
C220.3469 (4)0.4858 (3)0.5513 (3)0.0458 (12)
H22A0.42650.45370.55520.055*
C230.3104 (5)0.3440 (3)0.5360 (2)0.0478 (12)
H23A0.24700.32020.57050.057*
H23B0.38750.31960.55090.057*
C240.3328 (5)0.3175 (3)0.4558 (2)0.0371 (10)
C250.2749 (4)−0.0063 (3)−0.0148 (2)0.0365 (10)
C260.1592 (4)−0.0134 (3)0.0282 (2)0.0423 (11)
H26A0.10210.03330.05760.051*
C270.1263 (4)−0.0887 (3)0.0285 (3)0.0467 (12)
H27A0.0480−0.09230.05830.056*
C280.2086 (4)−0.1578 (3)−0.0148 (3)0.0427 (11)
C290.3235 (4)−0.1515 (3)−0.0593 (3)0.0462 (12)
H29A0.3792−0.1979−0.08970.055*
C300.3563 (4)−0.0773 (3)−0.0591 (3)0.0442 (11)
H30A0.4347−0.0743−0.08910.053*
C310.3125 (4)0.0758 (3)−0.0168 (2)0.0427 (11)
H31A0.40220.0633−0.04070.051*
H31B0.26920.1206−0.04740.051*
C320.2810 (5)0.1098 (3)0.0617 (3)0.0408 (11)
C33−0.1217 (4)0.4080 (3)0.1977 (3)0.0387 (11)
C34−0.1014 (5)0.4400 (3)0.1243 (3)0.0517 (13)
H34A−0.08660.40290.08540.062*
C35−0.1020 (5)0.5256 (3)0.1061 (3)0.0497 (12)
H35A−0.08850.54560.05580.060*
C36−0.1226 (4)0.5808 (3)0.1627 (3)0.0383 (10)
C37−0.1416 (5)0.5502 (3)0.2363 (3)0.0485 (12)
H37A−0.15510.58740.27490.058*
C38−0.1408 (4)0.4653 (3)0.2536 (3)0.0460 (12)
H38A−0.15330.44550.30400.055*
C39−0.1227 (4)0.3157 (3)0.2173 (3)0.0514 (13)
H39A−0.14390.29440.17760.062*
H39B−0.18910.31560.26400.062*
C40−0.0020 (4)0.2522 (3)0.2276 (2)0.0334 (10)
C410.3569 (4)0.3849 (3)0.0245 (2)0.0362 (10)
C420.4591 (4)0.3926 (3)−0.0351 (2)0.0415 (11)
H42A0.52750.3432−0.05070.050*
C430.4616 (4)0.4719 (3)−0.0717 (2)0.0427 (11)
H43A0.53130.4757−0.11140.051*
C440.3614 (4)0.5451 (3)−0.0495 (2)0.0358 (10)
C450.2579 (4)0.5391 (3)0.0091 (2)0.0401 (11)
H45A0.18980.58870.02450.048*
C460.2562 (4)0.4597 (3)0.0446 (2)0.0406 (11)
H46A0.18510.45590.08330.049*
C470.3539 (5)0.3003 (3)0.0672 (2)0.0426 (11)
H47A0.41720.25290.03650.051*
H47B0.27260.29220.07380.051*
C480.3763 (4)0.2935 (3)0.1439 (2)0.0303 (9)
C490.2721 (4)−0.0753 (3)0.1783 (2)0.0352 (10)
H49A0.3450−0.06750.14410.042*
C500.2544 (4)−0.1574 (3)0.1845 (3)0.0394 (11)
H50A0.3150−0.20290.15510.047*
C510.1474 (4)−0.1715 (3)0.2343 (2)0.0347 (10)
C520.0606 (4)−0.1001 (3)0.2744 (3)0.0417 (11)
H52A−0.0142−0.10570.30800.050*
C530.0841 (4)−0.0208 (3)0.2651 (3)0.0395 (11)
H53A0.02330.02610.29250.047*
C540.1774 (6)−0.4055 (3)0.2063 (4)0.0668 (16)
H54A0.2194−0.44650.16830.080*
C550.1882 (5)−0.3230 (3)0.1905 (3)0.0584 (14)
H55A0.2346−0.30920.14270.070*
C560.1301 (4)−0.2600 (3)0.2456 (3)0.0415 (11)
C570.0585 (5)−0.2856 (3)0.3136 (3)0.0596 (15)
H57A0.0145−0.24610.35260.072*
C580.0528 (5)−0.3702 (4)0.3229 (4)0.0755 (19)
H58A0.0035−0.38560.36910.091*
C590.5173 (4)0.4507 (3)0.2663 (3)0.0375 (10)
H59A0.58190.40540.23890.045*
C600.5361 (4)0.5309 (3)0.2618 (3)0.0418 (11)
H60A0.61130.53900.23090.050*
C610.4446 (4)0.6000 (3)0.3028 (2)0.0378 (10)
C620.3378 (5)0.5814 (3)0.3494 (3)0.0424 (11)
H62A0.27510.62440.38060.051*
C630.3235 (4)0.4999 (3)0.3500 (2)0.0384 (10)
H63A0.24970.49010.38110.046*
C640.3836 (7)0.8402 (3)0.3321 (3)0.0690 (18)
H64A0.32900.88290.36660.083*
C650.3752 (6)0.7549 (3)0.3472 (3)0.0561 (14)
H65A0.31870.74150.39100.067*
C660.4538 (5)0.6908 (3)0.2949 (3)0.0443 (12)
C670.5397 (5)0.7153 (3)0.2332 (3)0.0598 (15)
H67A0.59590.67440.19740.072*
C680.5411 (5)0.8012 (3)0.2252 (4)0.0697 (17)
H68A0.60070.81600.18400.084*
H2WA0.161 (5)0.4399 (13)0.278 (3)0.105*
H1WA0.458 (4)0.063 (3)0.258 (3)0.105*
H2WB0.128 (5)0.374 (3)0.266 (3)0.105*
H1WB0.442 (5)−0.0102 (13)0.246 (4)0.105*
H3WA0.005 (4)0.747 (4)0.012 (3)0.105*
H3WB−0.088 (5)0.762 (3)−0.020 (3)0.105*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Yb10.02696 (11)0.01759 (9)0.03884 (12)−0.00890 (8)−0.01179 (8)0.00276 (8)
Yb20.02615 (10)0.01619 (9)0.03632 (11)−0.00720 (7)−0.01082 (8)0.00041 (7)
N10.0283 (19)0.0221 (17)0.044 (2)−0.0095 (15)−0.0103 (16)0.0004 (16)
N20.054 (3)0.027 (2)0.121 (4)−0.016 (2)−0.040 (3)0.008 (3)
N30.039 (2)0.0209 (17)0.038 (2)−0.0096 (16)−0.0146 (17)−0.0004 (15)
N40.076 (4)0.037 (3)0.109 (4)−0.030 (3)−0.062 (3)0.024 (3)
O1W0.0394 (18)0.0174 (14)0.0565 (19)−0.0070 (13)−0.0239 (15)0.0002 (14)
O10.060 (2)0.0504 (19)0.0417 (18)−0.0387 (17)−0.0158 (16)0.0049 (15)
O2W0.0377 (18)0.0230 (15)0.059 (2)−0.0068 (14)−0.0229 (15)−0.0001 (15)
O20.0312 (16)0.0229 (14)0.0399 (17)−0.0130 (13)−0.0079 (13)0.0041 (12)
O30.059 (2)0.0349 (18)0.083 (3)−0.0158 (17)−0.036 (2)0.0092 (17)
O3W0.066 (3)0.059 (2)0.081 (3)−0.025 (2)−0.024 (2)0.012 (2)
O40.0276 (16)0.0203 (14)0.063 (2)−0.0072 (13)−0.0140 (14)−0.0062 (14)
O50.0309 (17)0.0195 (15)0.068 (2)−0.0055 (13)−0.0071 (15)0.0023 (14)
O60.074 (2)0.0241 (16)0.067 (2)−0.0135 (16)−0.0241 (19)−0.0009 (15)
O70.052 (2)0.0413 (19)0.0465 (19)0.0009 (16)−0.0190 (16)−0.0062 (15)
O80.0415 (18)0.0381 (17)0.0443 (18)−0.0136 (15)−0.0110 (15)−0.0059 (14)
O90.077 (3)0.036 (2)0.112 (3)−0.0163 (19)−0.030 (2)−0.009 (2)
O100.057 (2)0.057 (2)0.064 (2)−0.013 (2)−0.0132 (19)−0.0226 (19)
O110.064 (2)0.056 (2)0.0409 (18)−0.0371 (18)−0.0155 (17)0.0042 (16)
O120.052 (2)0.045 (2)0.105 (3)−0.0214 (18)−0.008 (2)−0.020 (2)
O130.0301 (16)0.0225 (14)0.064 (2)−0.0068 (13)−0.0235 (15)−0.0046 (14)
O140.0354 (18)0.0253 (16)0.080 (2)−0.0131 (14)−0.0184 (16)0.0114 (16)
O150.097 (3)0.0290 (18)0.061 (2)−0.0235 (19)−0.011 (2)−0.0049 (16)
O160.0303 (15)0.0222 (14)0.0383 (16)−0.0106 (12)−0.0106 (13)0.0057 (12)
O170.0482 (19)0.0347 (16)0.0374 (17)−0.0281 (15)−0.0140 (14)0.0068 (13)
O180.050 (2)0.0341 (17)0.055 (2)−0.0218 (15)−0.0104 (16)0.0105 (15)
C10.065 (3)0.036 (3)0.032 (2)−0.026 (2)−0.018 (2)0.001 (2)
C20.066 (4)0.058 (3)0.035 (3)−0.044 (3)−0.011 (2)0.003 (2)
C30.042 (3)0.058 (3)0.043 (3)−0.017 (3)−0.012 (2)−0.007 (2)
C40.050 (3)0.037 (3)0.040 (3)−0.019 (2)−0.019 (2)0.002 (2)
C50.043 (3)0.036 (3)0.051 (3)−0.022 (2)−0.017 (2)0.007 (2)
C60.043 (3)0.038 (3)0.047 (3)−0.013 (2)−0.017 (2)0.003 (2)
C70.100 (4)0.038 (3)0.041 (3)−0.033 (3)−0.024 (3)0.006 (2)
C80.039 (3)0.027 (2)0.036 (2)−0.014 (2)−0.009 (2)−0.0005 (19)
C90.025 (2)0.030 (2)0.041 (3)−0.0033 (18)−0.0133 (19)−0.0027 (19)
C100.036 (3)0.036 (2)0.036 (2)−0.005 (2)−0.008 (2)−0.002 (2)
C110.046 (3)0.028 (2)0.037 (3)−0.005 (2)−0.009 (2)−0.010 (2)
C120.039 (3)0.023 (2)0.052 (3)−0.0060 (19)−0.019 (2)−0.006 (2)
C130.046 (3)0.032 (2)0.042 (3)−0.012 (2)−0.008 (2)0.003 (2)
C140.040 (3)0.033 (2)0.038 (3)−0.004 (2)−0.008 (2)−0.013 (2)
C150.029 (2)0.024 (2)0.051 (3)−0.0064 (18)−0.010 (2)−0.0049 (19)
C160.031 (2)0.024 (2)0.039 (2)−0.0050 (18)−0.0148 (19)−0.0062 (18)
C170.051 (3)0.039 (3)0.029 (2)−0.013 (2)−0.009 (2)−0.005 (2)
C180.047 (3)0.045 (3)0.040 (3)−0.019 (2)−0.009 (2)−0.005 (2)
C190.046 (3)0.042 (3)0.051 (3)−0.010 (2)−0.012 (2)−0.006 (2)
C200.058 (3)0.037 (3)0.044 (3)−0.017 (3)−0.006 (2)−0.006 (2)
C210.054 (3)0.047 (3)0.053 (3)−0.023 (3)−0.008 (2)−0.010 (2)
C220.040 (3)0.045 (3)0.051 (3)−0.011 (2)−0.011 (2)−0.007 (2)
C230.065 (3)0.040 (3)0.035 (3)−0.012 (2)−0.012 (2)0.000 (2)
C240.053 (3)0.019 (2)0.040 (3)−0.014 (2)−0.013 (2)0.0044 (19)
C250.043 (3)0.039 (3)0.032 (2)−0.015 (2)−0.014 (2)−0.001 (2)
C260.040 (3)0.039 (3)0.043 (3)−0.008 (2)−0.005 (2)−0.012 (2)
C270.035 (3)0.055 (3)0.048 (3)−0.020 (2)0.001 (2)−0.010 (2)
C280.038 (3)0.038 (3)0.055 (3)−0.011 (2)−0.015 (2)−0.005 (2)
C290.041 (3)0.033 (3)0.059 (3)−0.006 (2)−0.007 (2)−0.012 (2)
C300.033 (3)0.046 (3)0.049 (3)−0.011 (2)−0.002 (2)−0.012 (2)
C310.054 (3)0.039 (3)0.036 (3)−0.018 (2)−0.010 (2)−0.001 (2)
C320.052 (3)0.038 (3)0.042 (3)−0.032 (2)−0.009 (2)0.003 (2)
C330.029 (2)0.029 (2)0.064 (3)−0.0047 (19)−0.027 (2)0.002 (2)
C340.072 (4)0.030 (3)0.056 (3)−0.003 (2)−0.032 (3)−0.012 (2)
C350.069 (3)0.034 (3)0.041 (3)−0.008 (2)−0.016 (2)0.000 (2)
C360.041 (3)0.023 (2)0.048 (3)−0.007 (2)−0.011 (2)0.000 (2)
C370.063 (3)0.035 (3)0.048 (3)−0.014 (2)−0.012 (2)−0.012 (2)
C380.057 (3)0.036 (3)0.041 (3)−0.011 (2)−0.012 (2)0.005 (2)
C390.038 (3)0.027 (2)0.094 (4)−0.007 (2)−0.030 (3)0.005 (2)
C400.033 (2)0.029 (2)0.039 (3)−0.0097 (19)−0.012 (2)0.0034 (19)
C410.050 (3)0.034 (2)0.038 (3)−0.022 (2)−0.025 (2)0.009 (2)
C420.047 (3)0.032 (2)0.042 (3)−0.008 (2)−0.011 (2)0.000 (2)
C430.044 (3)0.044 (3)0.039 (3)−0.019 (2)−0.005 (2)0.006 (2)
C440.046 (3)0.033 (2)0.037 (2)−0.020 (2)−0.019 (2)0.009 (2)
C450.041 (3)0.035 (2)0.041 (3)−0.013 (2)−0.008 (2)0.007 (2)
C460.042 (3)0.045 (3)0.038 (3)−0.023 (2)−0.010 (2)0.009 (2)
C470.065 (3)0.036 (2)0.040 (3)−0.028 (2)−0.024 (2)0.009 (2)
C480.029 (2)0.026 (2)0.036 (2)−0.0084 (18)−0.0106 (18)0.0064 (19)
C490.036 (2)0.027 (2)0.041 (3)−0.012 (2)−0.009 (2)0.0024 (19)
C500.043 (3)0.025 (2)0.051 (3)−0.007 (2)−0.016 (2)−0.003 (2)
C510.035 (2)0.023 (2)0.053 (3)−0.0112 (19)−0.021 (2)0.004 (2)
C520.030 (2)0.031 (2)0.065 (3)−0.014 (2)−0.010 (2)0.004 (2)
C530.033 (3)0.026 (2)0.055 (3)−0.008 (2)−0.006 (2)−0.004 (2)
C540.094 (5)0.037 (3)0.083 (4)−0.025 (3)−0.037 (4)−0.005 (3)
C550.096 (4)0.031 (3)0.060 (3)−0.029 (3)−0.029 (3)0.001 (2)
C560.036 (3)0.024 (2)0.071 (3)−0.008 (2)−0.029 (2)0.006 (2)
C570.045 (3)0.030 (3)0.088 (4)−0.011 (2)0.002 (3)0.003 (3)
C580.048 (3)0.041 (3)0.124 (5)−0.021 (3)−0.010 (3)0.030 (4)
C590.035 (3)0.021 (2)0.056 (3)−0.0093 (19)−0.012 (2)−0.002 (2)
C600.037 (3)0.034 (2)0.061 (3)−0.017 (2)−0.015 (2)0.002 (2)
C610.049 (3)0.027 (2)0.049 (3)−0.017 (2)−0.027 (2)0.006 (2)
C620.056 (3)0.026 (2)0.046 (3)−0.011 (2)−0.017 (2)0.000 (2)
C630.044 (3)0.028 (2)0.039 (3)−0.010 (2)−0.007 (2)0.003 (2)
C640.124 (6)0.030 (3)0.077 (4)−0.022 (3)−0.064 (4)−0.004 (3)
C650.106 (5)0.029 (3)0.047 (3)−0.026 (3)−0.037 (3)0.001 (2)
C660.057 (3)0.027 (2)0.065 (3)−0.018 (2)−0.040 (3)0.011 (2)
C670.045 (3)0.029 (3)0.110 (5)−0.016 (2)−0.028 (3)0.012 (3)
C680.049 (3)0.036 (3)0.130 (5)−0.018 (3)−0.036 (4)0.020 (3)

Geometric parameters (Å, °)

Yb1—O1W2.327 (3)C17—C221.380 (6)
Yb1—O132.344 (3)C17—C181.389 (6)
Yb1—O142.354 (3)C17—C231.507 (6)
Yb1—O162.355 (3)C18—C191.397 (6)
Yb1—O112.358 (3)C18—H18A0.9300
Yb1—O12.373 (3)C19—C201.362 (6)
Yb1—N12.494 (3)C19—H19A0.9300
Yb1—O22.531 (3)C20—C211.376 (6)
Yb1—O102.569 (3)C21—C221.372 (6)
Yb1—C402.704 (4)C21—H21A0.9300
Yb1—C82.817 (4)C22—H22A0.9300
Yb1—C322.834 (4)C23—C241.512 (6)
Yb2—O22.297 (3)C23—H23A0.9700
Yb2—O2W2.338 (3)C23—H23B0.9700
Yb2—O52.340 (3)C25—C261.378 (6)
Yb2—O42.364 (3)C25—C301.392 (6)
Yb2—O82.379 (3)C25—C311.517 (6)
Yb2—O72.470 (3)C26—C271.386 (6)
Yb2—O162.488 (3)C26—H26A0.9300
Yb2—N32.509 (3)C27—C281.367 (6)
Yb2—O172.522 (3)C27—H27A0.9300
Yb2—C162.728 (4)C28—C291.373 (6)
Yb2—C242.806 (4)C29—C301.370 (6)
Yb2—C482.885 (4)C29—H29A0.9300
N1—C491.333 (5)C30—H30A0.9300
N1—C531.336 (5)C31—C321.508 (6)
N2—C541.312 (7)C31—H31A0.9700
N2—C581.317 (7)C31—H31B0.9700
N3—C591.342 (5)C33—C341.369 (6)
N3—C631.343 (5)C33—C381.387 (6)
N4—C641.309 (7)C33—C391.493 (6)
N4—C681.334 (7)C34—C351.380 (6)
O1W—H1WA0.83 (5)C34—H34A0.9300
O1W—H1WB0.835 (19)C35—C361.367 (6)
O1—C81.237 (5)C35—H35A0.9300
O2W—H2WA0.845 (19)C36—C371.367 (6)
O2W—H2WB0.84 (6)C37—C381.368 (6)
O2—C81.268 (5)C37—H37A0.9300
O3—C41.379 (5)C38—H38A0.9300
O3—H3B0.8200C39—C401.508 (5)
O3W—H3WA0.81 (6)C39—H39A0.9700
O3W—H3WB0.82 (5)C39—H39B0.9700
O4—C161.268 (5)C41—C461.383 (6)
O5—C161.252 (5)C41—C421.385 (6)
O6—C121.360 (5)C41—C471.499 (6)
O6—H6B0.8200C42—C431.380 (6)
O7—C241.262 (5)C42—H42A0.9300
O8—C241.258 (5)C43—C441.369 (6)
O9—C201.368 (5)C43—H43A0.9300
O9—H9A0.8200C44—C451.378 (6)
O10—C321.232 (5)C45—C461.373 (6)
O11—C321.270 (5)C45—H45A0.9300
O12—C281.376 (5)C46—H46A0.9300
O12—H12A0.8200C47—C481.501 (5)
O13—C401.264 (5)C47—H47A0.9700
O14—C401.242 (5)C47—H47B0.9700
O15—C361.367 (5)C49—C501.390 (5)
O15—H15C0.8200C49—H49A0.9300
O16—C481.279 (4)C50—C511.377 (6)
O17—C481.253 (5)C50—H50A0.9300
O18—C441.373 (5)C51—C521.381 (6)
O18—H18B0.8200C51—C561.488 (5)
C1—C21.383 (6)C52—C531.372 (6)
C1—C61.386 (6)C52—H52A0.9300
C1—C71.511 (6)C53—H53A0.9300
C2—C31.384 (6)C54—C551.365 (7)
C2—H2A0.9300C54—H54A0.9300
C3—C41.376 (6)C55—C561.383 (6)
C3—H3A0.9300C55—H55A0.9300
C4—C51.381 (6)C56—C571.381 (7)
C5—C61.382 (6)C57—C581.375 (7)
C5—H5A0.9300C57—H57A0.9300
C6—H6A0.9300C58—H58A0.9300
C7—C81.511 (6)C59—C601.370 (6)
C7—H7A0.9700C59—H59A0.9300
C7—H7B0.9700C60—C611.381 (6)
C9—C101.368 (5)C60—H60A0.9300
C9—C141.394 (6)C61—C621.383 (6)
C9—C151.510 (5)C61—C661.489 (6)
C10—C111.393 (6)C62—C631.375 (6)
C10—H10A0.9300C62—H62A0.9300
C11—C121.375 (6)C63—H63A0.9300
C11—H11A0.9300C64—C651.399 (7)
C12—C131.384 (6)C64—H64A0.9300
C13—C141.379 (6)C65—C661.393 (7)
C13—H13A0.9300C65—H65A0.9300
C14—H14A0.9300C66—C671.385 (7)
C15—C161.499 (5)C67—C681.380 (7)
C15—H15A0.9700C67—H67A0.9300
C15—H15B0.9700C68—H68A0.9300
O1W—Yb1—O13146.19 (9)C12—C11—C10119.8 (4)
O1W—Yb1—O14149.34 (11)C12—C11—H11A120.1
O13—Yb1—O1455.00 (9)C10—C11—H11A120.1
O1W—Yb1—O1679.69 (9)O6—C12—C11123.2 (4)
O13—Yb1—O1673.79 (9)O6—C12—C13117.2 (4)
O14—Yb1—O16128.36 (9)C11—C12—C13119.5 (4)
O1W—Yb1—O1175.46 (11)C14—C13—C12119.7 (4)
O13—Yb1—O11120.68 (11)C14—C13—H13A120.2
O14—Yb1—O11115.67 (11)C12—C13—H13A120.2
O16—Yb1—O1183.08 (10)C13—C14—C9121.8 (4)
O1W—Yb1—O178.50 (11)C13—C14—H14A119.1
O13—Yb1—O195.31 (11)C9—C14—H14A119.1
O14—Yb1—O177.02 (11)C16—C15—C9116.0 (3)
O16—Yb1—O1117.33 (9)C16—C15—H15A108.3
O11—Yb1—O1143.13 (11)C9—C15—H15A108.3
O1W—Yb1—N180.39 (10)C16—C15—H15B108.3
O13—Yb1—N1130.72 (10)C9—C15—H15B108.3
O14—Yb1—N175.89 (10)H15A—C15—H15B107.4
O16—Yb1—N1153.17 (10)O5—C16—O4118.8 (4)
O11—Yb1—N174.63 (11)O5—C16—C15119.1 (4)
O1—Yb1—N175.66 (10)O4—C16—C15122.1 (3)
O1W—Yb1—O274.23 (9)O5—C16—Yb258.9 (2)
O13—Yb1—O275.80 (9)O4—C16—Yb259.96 (19)
O14—Yb1—O2104.26 (10)C15—C16—Yb2177.0 (3)
O16—Yb1—O265.22 (9)C22—C17—C18117.7 (4)
O11—Yb1—O2139.24 (10)C22—C17—C23121.3 (4)
O1—Yb1—O252.44 (9)C18—C17—C23121.0 (4)
N1—Yb1—O2125.34 (9)C17—C18—C19120.4 (4)
O1W—Yb1—O10127.38 (11)C17—C18—H18A119.8
O13—Yb1—O1074.34 (10)C19—C18—H18A119.8
O14—Yb1—O1070.65 (11)C20—C19—C18120.2 (5)
O16—Yb1—O1091.12 (10)C20—C19—H19A119.9
O11—Yb1—O1051.96 (11)C18—C19—H19A119.9
O1—Yb1—O10146.15 (11)C19—C20—O9117.6 (5)
N1—Yb1—O1086.84 (11)C19—C20—C21119.9 (4)
O2—Yb1—O10146.10 (10)O9—C20—C21122.5 (4)
O1W—Yb1—C40164.73 (12)C22—C21—C20119.8 (4)
O13—Yb1—C4027.85 (10)C22—C21—H21A120.1
O14—Yb1—C4027.33 (11)C20—C21—H21A120.1
O16—Yb1—C40101.07 (11)C21—C22—C17121.8 (5)
O11—Yb1—C40119.81 (12)C21—C22—H22A119.1
O1—Yb1—C4087.80 (12)C17—C22—H22A119.1
N1—Yb1—C40102.88 (11)C17—C23—C24111.7 (3)
O2—Yb1—C4092.12 (10)C17—C23—H23A109.3
O10—Yb1—C4067.88 (12)C24—C23—H23A109.3
O1W—Yb1—C873.02 (11)C17—C23—H23B109.3
O13—Yb1—C886.96 (11)C24—C23—H23B109.3
O14—Yb1—C891.97 (12)H23A—C23—H23B107.9
O16—Yb1—C891.55 (10)O8—C24—O7118.7 (4)
O11—Yb1—C8148.48 (12)O8—C24—C23119.8 (4)
O1—Yb1—C825.81 (10)O7—C24—C23121.5 (4)
N1—Yb1—C899.62 (11)O8—C24—Yb257.5 (2)
O2—Yb1—C826.74 (10)O7—C24—Yb261.6 (2)
O10—Yb1—C8159.54 (12)C23—C24—Yb2172.3 (3)
C40—Yb1—C891.71 (12)C26—C25—C30117.3 (4)
O1W—Yb1—C32101.77 (13)C26—C25—C31122.3 (4)
O13—Yb1—C3298.37 (12)C30—C25—C31120.4 (4)
O14—Yb1—C3291.95 (13)C25—C26—C27121.3 (4)
O16—Yb1—C3288.96 (10)C25—C26—H26A119.3
O11—Yb1—C3226.34 (12)C27—C26—H26A119.3
O1—Yb1—C32152.95 (11)C28—C27—C26120.2 (4)
N1—Yb1—C3277.72 (11)C28—C27—H27A119.9
O2—Yb1—C32154.17 (10)C26—C27—H27A119.9
O10—Yb1—C3225.78 (11)C27—C28—C29119.5 (4)
C40—Yb1—C3293.49 (14)C27—C28—O12118.8 (4)
C8—Yb1—C32174.57 (13)C29—C28—O12121.8 (4)
O2—Yb2—O2W78.31 (10)C30—C29—C28120.3 (4)
O2—Yb2—O5129.47 (9)C30—C29—H29A119.9
O2W—Yb2—O5143.03 (11)C28—C29—H29A119.9
O2—Yb2—O475.27 (9)C29—C30—C25121.5 (4)
O2W—Yb2—O4148.09 (9)C29—C30—H30A119.3
O5—Yb2—O454.92 (9)C25—C30—H30A119.3
O2—Yb2—O879.73 (9)C32—C31—C25111.9 (4)
O2W—Yb2—O875.22 (11)C32—C31—H31A109.2
O5—Yb2—O8127.49 (10)C25—C31—H31A109.2
O4—Yb2—O8116.60 (10)C32—C31—H31B109.2
O2—Yb2—O799.67 (10)C25—C31—H31B109.2
O2W—Yb2—O7127.27 (11)H31A—C31—H31B107.9
O5—Yb2—O777.15 (11)O10—C32—O11119.9 (4)
O4—Yb2—O775.20 (10)O10—C32—C31121.9 (4)
O8—Yb2—O753.07 (10)O11—C32—C31118.1 (4)
O2—Yb2—O1666.76 (9)O10—C32—Yb165.0 (3)
O2W—Yb2—O1677.51 (9)O11—C32—Yb155.5 (2)
O5—Yb2—O1691.24 (9)C31—C32—Yb1167.9 (3)
O4—Yb2—O1675.83 (9)C34—C33—C38116.8 (4)
O8—Yb2—O16140.25 (9)C34—C33—C39122.2 (4)
O7—Yb2—O16150.36 (9)C38—C33—C39120.9 (4)
O2—Yb2—N3153.08 (10)C33—C34—C35122.3 (4)
O2W—Yb2—N382.74 (10)C33—C34—H34A118.9
O5—Yb2—N376.38 (10)C35—C34—H34A118.9
O4—Yb2—N3127.80 (10)C36—C35—C34119.5 (4)
O8—Yb2—N377.04 (10)C36—C35—H35A120.3
O7—Yb2—N376.91 (10)C34—C35—H35A120.3
O16—Yb2—N3127.22 (9)C35—C36—C37119.4 (4)
O2—Yb2—O17115.73 (9)C35—C36—O15123.0 (4)
O2W—Yb2—O1773.04 (10)C37—C36—O15117.6 (4)
O5—Yb2—O1772.48 (10)C36—C37—C38120.6 (4)
O4—Yb2—O17102.88 (10)C36—C37—H37A119.7
O8—Yb2—O17140.34 (10)C38—C37—H37A119.7
O7—Yb2—O17143.07 (10)C37—C38—C33121.4 (4)
O16—Yb2—O1751.59 (8)C37—C38—H38A119.3
N3—Yb2—O1775.94 (9)C33—C38—H38A119.3
O2—Yb2—C16102.67 (11)C33—C39—C40116.1 (4)
O2W—Yb2—C16158.49 (11)C33—C39—H39A108.3
O5—Yb2—C1627.25 (10)C40—C39—H39A108.3
O4—Yb2—C1627.67 (10)C33—C39—H39B108.3
O8—Yb2—C16126.26 (11)C40—C39—H39B108.3
O7—Yb2—C1674.06 (11)H39A—C39—H39B107.4
O16—Yb2—C1683.15 (10)O14—C40—O13119.9 (4)
N3—Yb2—C16101.97 (11)O14—C40—C39120.0 (4)
O17—Yb2—C1687.63 (11)O13—C40—C39120.1 (4)
O2—Yb2—C2491.33 (11)O14—C40—Yb160.4 (2)
O2W—Yb2—C24100.83 (12)O13—C40—Yb160.1 (2)
O5—Yb2—C24102.01 (12)C39—C40—Yb1169.9 (3)
O4—Yb2—C2497.39 (11)C46—C41—C42117.3 (4)
O8—Yb2—C2426.48 (11)C46—C41—C47120.3 (4)
O7—Yb2—C2426.71 (11)C42—C41—C47122.4 (4)
O16—Yb2—C24157.99 (11)C43—C42—C41121.4 (4)
N3—Yb2—C2473.57 (11)C43—C42—H42A119.3
O17—Yb2—C24149.44 (10)C41—C42—H42A119.3
C16—Yb2—C24100.63 (12)C44—C43—C42120.0 (4)
O2—Yb2—C4890.60 (10)C44—C43—H43A120.0
O2W—Yb2—C4870.62 (11)C42—C43—H43A120.0
O5—Yb2—C4883.74 (11)C43—C44—O18122.6 (4)
O4—Yb2—C4891.96 (10)C43—C44—C45119.9 (4)
O8—Yb2—C48145.73 (11)O18—C44—C45117.5 (4)
O7—Yb2—C48160.74 (11)C46—C45—C44119.6 (4)
O16—Yb2—C4826.23 (9)C46—C45—H45A120.2
N3—Yb2—C48101.00 (11)C44—C45—H45A120.2
O17—Yb2—C4825.69 (9)C45—C46—C41121.9 (4)
C16—Yb2—C4887.87 (11)C45—C46—H46A119.0
C24—Yb2—C48170.64 (12)C41—C46—H46A119.0
C49—N1—C53116.3 (4)C41—C47—C48115.1 (3)
C49—N1—Yb1124.2 (3)C41—C47—H47A108.5
C53—N1—Yb1119.4 (3)C48—C47—H47A108.5
C54—N2—C58115.4 (5)C41—C47—H47B108.5
C59—N3—C63115.8 (4)C48—C47—H47B108.5
C59—N3—Yb2122.7 (3)H47A—C47—H47B107.5
C63—N3—Yb2121.4 (3)O17—C48—O16118.9 (3)
C64—N4—C68116.1 (5)O17—C48—C47122.7 (4)
Yb1—O1W—H1WA122 (4)O16—C48—C47118.4 (3)
Yb1—O1W—H1WB135 (4)O17—C48—Yb260.7 (2)
H1WA—O1W—H1WB103 (3)O16—C48—Yb259.29 (19)
C8—O1—Yb197.5 (3)C47—C48—Yb2169.3 (3)
Yb2—O2W—H2WA126 (4)N1—C49—C50123.2 (4)
Yb2—O2W—H2WB130 (4)N1—C49—H49A118.4
H2WA—O2W—H2WB101 (3)C50—C49—H49A118.4
C8—O2—Yb2154.3 (3)C51—C50—C49120.1 (4)
C8—O2—Yb189.3 (2)C51—C50—H50A120.0
Yb2—O2—Yb1114.25 (10)C49—C50—H50A120.0
C4—O3—H3B109.5C50—C51—C52116.4 (4)
H3WA—O3W—H3WB110 (3)C50—C51—C56121.1 (4)
C16—O4—Yb292.4 (2)C52—C51—C56122.5 (4)
C16—O5—Yb293.9 (2)C53—C52—C51120.3 (4)
C12—O6—H6B109.5C53—C52—H52A119.8
C24—O7—Yb291.7 (2)C51—C52—H52A119.8
C24—O8—Yb296.1 (3)N1—C53—C52123.7 (4)
C20—O9—H9A109.5N1—C53—H53A118.2
C32—O10—Yb189.2 (3)C52—C53—H53A118.2
C32—O11—Yb198.2 (3)N2—C54—C55124.7 (5)
C28—O12—H12A109.5N2—C54—H54A117.7
C40—O13—Yb192.1 (2)C55—C54—H54A117.7
C40—O14—Yb192.2 (2)C54—C55—C56120.1 (5)
C36—O15—H15C109.5C54—C55—H55A120.0
C48—O16—Yb1141.9 (2)C56—C55—H55A120.0
C48—O16—Yb294.5 (2)C57—C56—C55115.7 (4)
Yb1—O16—Yb2113.77 (10)C57—C56—C51121.7 (4)
C48—O17—Yb293.6 (2)C55—C56—C51122.6 (4)
C44—O18—H18B109.5C58—C57—C56119.3 (5)
C2—C1—C6117.0 (4)C58—C57—H57A120.4
C2—C1—C7121.6 (4)C56—C57—H57A120.4
C6—C1—C7121.4 (5)N2—C58—C57124.9 (6)
C1—C2—C3122.1 (4)N2—C58—H58A117.6
C1—C2—H2A119.0C57—C58—H58A117.6
C3—C2—H2A119.0N3—C59—C60123.8 (4)
C4—C3—C2119.6 (5)N3—C59—H59A118.1
C4—C3—H3A120.2C60—C59—H59A118.1
C2—C3—H3A120.2C59—C60—C61120.6 (4)
C3—C4—O3122.6 (4)C59—C60—H60A119.7
C3—C4—C5119.8 (4)C61—C60—H60A119.7
O3—C4—C5117.6 (4)C60—C61—C62115.8 (4)
C4—C5—C6119.6 (4)C60—C61—C66123.2 (4)
C4—C5—H5A120.2C62—C61—C66120.8 (4)
C6—C5—H5A120.2C63—C62—C61120.7 (4)
C5—C6—C1121.8 (4)C63—C62—H62A119.7
C5—C6—H6A119.1C61—C62—H62A119.7
C1—C6—H6A119.1N3—C63—C62123.2 (4)
C1—C7—C8112.3 (4)N3—C63—H63A118.4
C1—C7—H7A109.1C62—C63—H63A118.4
C8—C7—H7A109.1N4—C64—C65124.8 (6)
C1—C7—H7B109.1N4—C64—H64A117.6
C8—C7—H7B109.1C65—C64—H64A117.6
H7A—C7—H7B107.9C66—C65—C64118.3 (5)
O1—C8—O2120.2 (4)C66—C65—H65A120.9
O1—C8—C7120.0 (4)C64—C65—H65A120.9
O2—C8—C7119.8 (4)C67—C66—C65117.1 (4)
O1—C8—Yb156.7 (2)C67—C66—C61120.7 (4)
O2—C8—Yb164.0 (2)C65—C66—C61122.1 (5)
C7—C8—Yb1171.5 (3)C68—C67—C66119.3 (5)
C10—C9—C14117.3 (4)C68—C67—H67A120.4
C10—C9—C15121.8 (4)C66—C67—H67A120.4
C14—C9—C15120.9 (4)N4—C68—C67124.3 (6)
C9—C10—C11121.9 (4)N4—C68—H68A117.9
C9—C10—H10A119.1C67—C68—H68A117.9
C11—C10—H10A119.1
O1W—Yb1—N1—C49−52.1 (3)C14—C9—C10—C110.0 (6)
O13—Yb1—N1—C49142.8 (3)C15—C9—C10—C11−180.0 (4)
O14—Yb1—N1—C49147.5 (3)C9—C10—C11—C12−0.3 (7)
O16—Yb1—N1—C49−9.6 (4)C10—C11—C12—O6179.6 (4)
O11—Yb1—N1—C4925.3 (3)C10—C11—C12—C130.4 (6)
O1—Yb1—N1—C49−132.6 (3)O6—C12—C13—C14−179.4 (4)
O2—Yb1—N1—C49−114.9 (3)C11—C12—C13—C14−0.2 (7)
O10—Yb1—N1—C4976.6 (3)C12—C13—C14—C9−0.2 (7)
C40—Yb1—N1—C49143.1 (3)C10—C9—C14—C130.3 (6)
C8—Yb1—N1—C49−122.9 (3)C15—C9—C14—C13−179.7 (4)
C32—Yb1—N1—C4952.3 (3)C10—C9—C15—C16115.0 (4)
O1W—Yb1—N1—C53123.5 (3)C14—C9—C15—C16−64.9 (5)
O13—Yb1—N1—C53−41.6 (3)Yb2—O5—C16—O41.2 (4)
O14—Yb1—N1—C53−36.9 (3)Yb2—O5—C16—C15−177.4 (3)
O16—Yb1—N1—C53166.0 (3)Yb2—O4—C16—O5−1.2 (4)
O11—Yb1—N1—C53−159.1 (3)Yb2—O4—C16—C15177.4 (3)
O1—Yb1—N1—C5343.0 (3)C9—C15—C16—O5−172.9 (4)
O2—Yb1—N1—C5360.8 (3)C9—C15—C16—O48.5 (6)
O10—Yb1—N1—C53−107.7 (3)O2—Yb2—C16—O5170.6 (2)
C40—Yb1—N1—C53−41.3 (3)O2W—Yb2—C16—O580.4 (4)
C8—Yb1—N1—C5352.7 (3)O4—Yb2—C16—O5178.7 (4)
C32—Yb1—N1—C53−132.1 (3)O8—Yb2—C16—O5−103.0 (2)
O2—Yb2—N3—C59−174.8 (3)O7—Yb2—C16—O5−92.8 (2)
O2W—Yb2—N3—C59−129.4 (3)O16—Yb2—C16—O5106.3 (2)
O5—Yb2—N3—C5919.9 (3)N3—Yb2—C16—O5−20.4 (3)
O4—Yb2—N3—C5940.4 (3)O17—Yb2—C16—O554.7 (2)
O8—Yb2—N3—C59154.2 (3)C24—Yb2—C16—O5−95.6 (2)
O7—Yb2—N3—C5999.6 (3)C48—Yb2—C16—O580.4 (2)
O16—Yb2—N3—C59−61.1 (3)O2—Yb2—C16—O4−8.2 (2)
O17—Yb2—N3—C59−55.1 (3)O2W—Yb2—C16—O4−98.4 (4)
C16—Yb2—N3—C5929.3 (3)O5—Yb2—C16—O4−178.7 (4)
C24—Yb2—N3—C59127.0 (3)O8—Yb2—C16—O478.3 (2)
C48—Yb2—N3—C59−60.8 (3)O7—Yb2—C16—O488.4 (2)
O2—Yb2—N3—C630.7 (4)O16—Yb2—C16—O4−72.4 (2)
O2W—Yb2—N3—C6346.1 (3)N3—Yb2—C16—O4160.9 (2)
O5—Yb2—N3—C63−164.6 (3)O17—Yb2—C16—O4−124.0 (2)
O4—Yb2—N3—C63−144.1 (3)C24—Yb2—C16—O485.6 (2)
O8—Yb2—N3—C63−30.3 (3)C48—Yb2—C16—O4−98.3 (2)
O7—Yb2—N3—C63−84.9 (3)C22—C17—C18—C190.4 (6)
O16—Yb2—N3—C63114.4 (3)C23—C17—C18—C19−178.1 (4)
O17—Yb2—N3—C63120.4 (3)C17—C18—C19—C202.1 (7)
C16—Yb2—N3—C63−155.1 (3)C18—C19—C20—O9178.9 (4)
C24—Yb2—N3—C63−57.4 (3)C18—C19—C20—C21−3.3 (7)
C48—Yb2—N3—C63114.7 (3)C19—C20—C21—C222.0 (7)
O1W—Yb1—O1—C874.7 (3)O9—C20—C21—C22179.8 (4)
O13—Yb1—O1—C8−71.7 (3)C20—C21—C22—C170.5 (7)
O14—Yb1—O1—C8−123.9 (3)C18—C17—C22—C21−1.7 (7)
O16—Yb1—O1—C82.8 (3)C23—C17—C22—C21176.8 (4)
O11—Yb1—O1—C8120.4 (3)C22—C17—C23—C24−107.1 (5)
N1—Yb1—O1—C8157.6 (3)C18—C17—C23—C2471.4 (6)
O2—Yb1—O1—C8−4.1 (2)Yb2—O8—C24—O7−7.4 (4)
O10—Yb1—O1—C8−141.3 (3)Yb2—O8—C24—C23171.6 (3)
C40—Yb1—O1—C8−98.5 (3)Yb2—O7—C24—O87.1 (4)
C32—Yb1—O1—C8168.1 (3)Yb2—O7—C24—C23−171.9 (4)
O2W—Yb2—O2—C8−124.2 (6)C17—C23—C24—O8−59.9 (6)
O5—Yb2—O2—C883.4 (6)C17—C23—C24—O7119.1 (5)
O4—Yb2—O2—C873.9 (6)O2—Yb2—C24—O8−63.5 (2)
O8—Yb2—O2—C8−47.3 (6)O2W—Yb2—C24—O814.9 (2)
O7—Yb2—O2—C82.1 (6)O5—Yb2—C24—O8165.6 (2)
O16—Yb2—O2—C8154.5 (6)O4—Yb2—C24—O8−138.8 (2)
N3—Yb2—O2—C8−78.0 (6)O7—Yb2—C24—O8−172.6 (4)
O17—Yb2—O2—C8171.3 (6)O16—Yb2—C24—O8−68.6 (4)
C16—Yb2—O2—C877.8 (6)N3—Yb2—C24—O893.9 (2)
C24—Yb2—O2—C8−23.4 (6)O17—Yb2—C24—O889.8 (3)
C48—Yb2—O2—C8165.7 (6)C16—Yb2—C24—O8−166.6 (2)
O2W—Yb2—O2—Yb181.21 (12)O2—Yb2—C24—O7109.1 (2)
O5—Yb2—O2—Yb1−71.23 (15)O2W—Yb2—C24—O7−172.5 (2)
O4—Yb2—O2—Yb1−80.71 (12)O5—Yb2—C24—O7−21.8 (3)
O8—Yb2—O2—Yb1158.08 (13)O4—Yb2—C24—O733.8 (3)
O7—Yb2—O2—Yb1−152.49 (11)O8—Yb2—C24—O7172.6 (4)
O16—Yb2—O2—Yb1−0.07 (9)O16—Yb2—C24—O7104.1 (4)
N3—Yb2—O2—Yb1127.40 (19)N3—Yb2—C24—O7−93.5 (3)
O17—Yb2—O2—Yb116.71 (14)O17—Yb2—C24—O7−97.6 (3)
C16—Yb2—O2—Yb1−76.80 (13)C16—Yb2—C24—O76.0 (3)
C24—Yb2—O2—Yb1−178.00 (13)C30—C25—C26—C271.2 (7)
C48—Yb2—O2—Yb111.16 (12)C31—C25—C26—C27179.2 (4)
O1W—Yb1—O2—C8−83.5 (2)C25—C26—C27—C28−0.5 (7)
O13—Yb1—O2—C8112.4 (2)C26—C27—C28—C29−0.8 (7)
O14—Yb1—O2—C864.8 (2)C26—C27—C28—O12179.6 (4)
O16—Yb1—O2—C8−169.2 (2)C27—C28—C29—C301.4 (7)
O11—Yb1—O2—C8−126.8 (2)O12—C28—C29—C30−179.0 (4)
O1—Yb1—O2—C84.0 (2)C28—C29—C30—C25−0.6 (7)
N1—Yb1—O2—C8−17.8 (3)C26—C25—C30—C29−0.7 (7)
O10—Yb1—O2—C8141.2 (2)C31—C25—C30—C29−178.7 (4)
C40—Yb1—O2—C889.6 (2)C26—C25—C31—C3246.3 (6)
C32—Yb1—O2—C8−167.9 (3)C30—C25—C31—C32−135.8 (4)
O1W—Yb1—O2—Yb285.80 (12)Yb1—O10—C32—O11−8.4 (4)
O13—Yb1—O2—Yb2−78.37 (12)Yb1—O10—C32—C31168.8 (4)
O14—Yb1—O2—Yb2−125.93 (11)Yb1—O11—C32—O109.3 (4)
O16—Yb1—O2—Yb20.08 (9)Yb1—O11—C32—C31−168.0 (3)
O11—Yb1—O2—Yb242.45 (19)C25—C31—C32—O10−95.8 (5)
O1—Yb1—O2—Yb2173.27 (17)C25—C31—C32—O1181.5 (5)
N1—Yb1—O2—Yb2151.42 (11)C25—C31—C32—Yb126.5 (18)
O10—Yb1—O2—Yb2−49.5 (2)O1W—Yb1—C32—O10−174.0 (2)
C40—Yb1—O2—Yb2−101.14 (13)O13—Yb1—C32—O10−21.3 (3)
C8—Yb1—O2—Yb2169.3 (3)O14—Yb1—C32—O1033.6 (3)
C32—Yb1—O2—Yb21.4 (3)O16—Yb1—C32—O10−94.7 (3)
O2—Yb2—O4—C16171.8 (2)O11—Yb1—C32—O10−171.2 (4)
O2W—Yb2—O4—C16136.7 (2)O1—Yb1—C32—O1098.3 (4)
O5—Yb2—O4—C160.7 (2)N1—Yb1—C32—O10108.7 (3)
O8—Yb2—O4—C16−118.0 (2)O2—Yb1—C32—O10−95.9 (4)
O7—Yb2—O4—C16−83.8 (2)C40—Yb1—C32—O106.3 (3)
O16—Yb2—O4—C16102.5 (2)O1W—Yb1—C32—O11−2.8 (3)
N3—Yb2—O4—C16−23.9 (3)O13—Yb1—C32—O11149.9 (2)
O17—Yb2—O4—C1658.2 (2)O14—Yb1—C32—O11−155.2 (2)
C24—Yb2—O4—C16−98.8 (2)O16—Yb1—C32—O1176.4 (2)
C48—Yb2—O4—C1681.6 (2)O1—Yb1—C32—O11−90.5 (3)
O2—Yb2—O5—C16−11.9 (3)N1—Yb1—C32—O11−80.1 (2)
O2W—Yb2—O5—C16−143.1 (2)O2—Yb1—C32—O1175.2 (4)
O4—Yb2—O5—C16−0.7 (2)O10—Yb1—C32—O11171.2 (4)
O8—Yb2—O5—C1698.0 (2)C40—Yb1—C32—O11177.4 (2)
O7—Yb2—O5—C1680.1 (2)O1W—Yb1—C32—C3158.4 (16)
O16—Yb2—O5—C16−72.4 (2)O13—Yb1—C32—C31−148.9 (16)
N3—Yb2—O5—C16159.5 (3)O14—Yb1—C32—C31−94.0 (16)
O17—Yb2—O5—C16−121.2 (2)O16—Yb1—C32—C31137.6 (16)
C24—Yb2—O5—C1689.9 (2)O11—Yb1—C32—C3161.2 (16)
C48—Yb2—O5—C16−97.6 (2)O1—Yb1—C32—C31−29.3 (18)
O2—Yb2—O7—C24−73.4 (2)N1—Yb1—C32—C31−18.9 (16)
O2W—Yb2—O7—C249.3 (3)O2—Yb1—C32—C31136.5 (15)
O5—Yb2—O7—C24158.1 (3)O10—Yb1—C32—C31−127.6 (17)
O4—Yb2—O7—C24−145.2 (3)C40—Yb1—C32—C31−121.3 (16)
O8—Yb2—O7—C24−4.1 (2)C38—C33—C34—C35−1.2 (7)
O16—Yb2—O7—C24−132.7 (2)C39—C33—C34—C35179.2 (4)
N3—Yb2—O7—C2479.4 (2)C33—C34—C35—C360.5 (8)
O17—Yb2—O7—C24123.0 (3)C34—C35—C36—C370.4 (7)
C16—Yb2—O7—C24−173.9 (3)C34—C35—C36—O15−178.6 (4)
C48—Yb2—O7—C24165.3 (3)C35—C36—C37—C38−0.4 (7)
O2—Yb2—O8—C24114.6 (2)O15—C36—C37—C38178.7 (4)
O2W—Yb2—O8—C24−164.9 (3)C36—C37—C38—C33−0.4 (7)
O5—Yb2—O8—C24−17.9 (3)C34—C33—C38—C371.2 (7)
O4—Yb2—O8—C2446.9 (3)C39—C33—C38—C37−179.2 (4)
O7—Yb2—O8—C244.1 (2)C34—C33—C39—C4097.4 (5)
O16—Yb2—O8—C24146.9 (2)C38—C33—C39—C40−82.1 (6)
N3—Yb2—O8—C24−79.1 (2)Yb1—O14—C40—O13−8.8 (4)
O17—Yb2—O8—C24−127.2 (2)Yb1—O14—C40—C39168.4 (4)
C16—Yb2—O8—C2416.4 (3)Yb1—O13—C40—O148.9 (4)
C48—Yb2—O8—C24−169.7 (2)Yb1—O13—C40—C39−168.3 (4)
O1W—Yb1—O10—C327.4 (3)C33—C39—C40—O14−172.5 (4)
O13—Yb1—O10—C32158.1 (3)C33—C39—C40—O134.6 (7)
O14—Yb1—O10—C32−144.1 (3)C33—C39—C40—Yb1−83.2 (17)
O16—Yb1—O10—C3285.3 (3)O1W—Yb1—C40—O14−91.5 (5)
O11—Yb1—O10—C325.0 (2)O13—Yb1—C40—O14−171.2 (4)
O1—Yb1—O10—C32−126.1 (3)O16—Yb1—C40—O14177.1 (2)
N1—Yb1—O10—C32−67.9 (3)O11—Yb1—C40—O1488.8 (3)
O2—Yb1—O10—C32129.0 (3)O1—Yb1—C40—O14−65.5 (3)
C40—Yb1—O10—C32−173.2 (3)N1—Yb1—C40—O149.3 (3)
C8—Yb1—O10—C32−177.3 (3)O2—Yb1—C40—O14−117.7 (3)
O1W—Yb1—O11—C32177.1 (3)O10—Yb1—C40—O1490.4 (3)
O13—Yb1—O11—C32−35.3 (3)C8—Yb1—C40—O14−91.0 (3)
O14—Yb1—O11—C3227.7 (3)C32—Yb1—C40—O1487.5 (3)
O16—Yb1—O11—C32−101.8 (2)O1W—Yb1—C40—O1379.7 (5)
O1—Yb1—O11—C32130.7 (2)O14—Yb1—C40—O13171.2 (4)
N1—Yb1—O11—C3293.3 (2)O16—Yb1—C40—O13−11.7 (2)
O2—Yb1—O11—C32−139.8 (2)O11—Yb1—C40—O13−100.0 (2)
O10—Yb1—O11—C32−4.9 (2)O1—Yb1—C40—O13105.7 (2)
C40—Yb1—O11—C32−2.9 (3)N1—Yb1—C40—O13−179.5 (2)
C8—Yb1—O11—C32176.6 (2)O2—Yb1—C40—O1353.4 (2)
O1W—Yb1—O13—C40−152.3 (2)O10—Yb1—C40—O13−98.4 (3)
O14—Yb1—O13—C40−4.9 (2)C8—Yb1—C40—O1380.2 (2)
O16—Yb1—O13—C40168.0 (3)C32—Yb1—C40—O13−101.3 (2)
O11—Yb1—O13—C4096.6 (3)O1W—Yb1—C40—C39173.3 (14)
O1—Yb1—O13—C40−75.0 (2)O13—Yb1—C40—C3993.7 (17)
N1—Yb1—O13—C400.6 (3)O14—Yb1—C40—C39−95.2 (17)
O2—Yb1—O13—C40−124.1 (2)O16—Yb1—C40—C3981.9 (17)
O10—Yb1—O13—C4072.1 (2)O11—Yb1—C40—C39−6.4 (17)
C8—Yb1—O13—C40−99.5 (2)O1—Yb1—C40—C39−160.6 (17)
C32—Yb1—O13—C4081.6 (3)N1—Yb1—C40—C39−85.9 (17)
O1W—Yb1—O14—C40148.9 (2)O2—Yb1—C40—C39147.1 (17)
O13—Yb1—O14—C405.0 (2)O10—Yb1—C40—C39−4.7 (16)
O16—Yb1—O14—C40−3.6 (3)C8—Yb1—C40—C39173.9 (17)
O11—Yb1—O14—C40−105.7 (3)C32—Yb1—C40—C39−7.7 (17)
O1—Yb1—O14—C40111.1 (3)C46—C41—C42—C431.5 (6)
N1—Yb1—O14—C40−170.7 (3)C47—C41—C42—C43−177.6 (4)
O2—Yb1—O14—C4065.9 (3)C41—C42—C43—C44−0.3 (7)
O10—Yb1—O14—C40−79.1 (3)C42—C43—C44—O18179.1 (4)
C8—Yb1—O14—C4089.9 (3)C42—C43—C44—C45−0.4 (6)
C32—Yb1—O14—C40−93.8 (3)C43—C44—C45—C46−0.2 (6)
O1W—Yb1—O16—C48148.2 (4)O18—C44—C45—C46−179.8 (4)
O13—Yb1—O16—C48−53.0 (4)C44—C45—C46—C411.5 (6)
O14—Yb1—O16—C48−45.6 (4)C42—C41—C46—C45−2.2 (6)
O11—Yb1—O16—C4871.8 (4)C47—C41—C46—C45177.0 (4)
O1—Yb1—O16—C48−140.6 (4)C46—C41—C47—C48−76.1 (5)
N1—Yb1—O16—C48105.6 (4)C42—C41—C47—C48103.0 (5)
O2—Yb1—O16—C48−134.5 (4)Yb2—O17—C48—O16−12.1 (4)
O10—Yb1—O16—C4820.4 (4)Yb2—O17—C48—C47168.2 (4)
C40—Yb1—O16—C48−47.3 (4)Yb1—O16—C48—O17151.3 (3)
C8—Yb1—O16—C48−139.4 (4)Yb2—O16—C48—O1712.2 (4)
C32—Yb1—O16—C4846.0 (4)Yb1—O16—C48—C47−28.9 (6)
O1W—Yb1—O16—Yb2−77.35 (12)Yb2—O16—C48—C47−168.0 (3)
O13—Yb1—O16—Yb281.46 (11)Yb1—O16—C48—Yb2139.1 (4)
O14—Yb1—O16—Yb288.82 (14)C41—C47—C48—O17−11.8 (6)
O11—Yb1—O16—Yb2−153.75 (13)C41—C47—C48—O16168.4 (4)
O1—Yb1—O16—Yb2−6.14 (15)C41—C47—C48—Yb293.7 (15)
N1—Yb1—O16—Yb2−120.0 (2)O2—Yb2—C48—O17168.4 (2)
O2—Yb1—O16—Yb2−0.07 (8)O2W—Yb2—C48—O1791.0 (2)
O10—Yb1—O16—Yb2154.80 (12)O5—Yb2—C48—O17−61.9 (2)
C40—Yb1—O16—Yb287.13 (13)O4—Yb2—C48—O17−116.3 (2)
C8—Yb1—O16—Yb2−4.92 (12)O8—Yb2—C48—O1795.9 (3)
C32—Yb1—O16—Yb2−179.51 (14)O7—Yb2—C48—O17−68.9 (4)
O2—Yb2—O16—C48153.9 (2)O16—Yb2—C48—O17−167.7 (4)
O2W—Yb2—O16—C4871.4 (2)N3—Yb2—C48—O1712.8 (2)
O5—Yb2—O16—C48−73.1 (2)C16—Yb2—C48—O17−88.9 (2)
O4—Yb2—O16—C48−126.3 (2)O2—Yb2—C48—O16−23.9 (2)
O8—Yb2—O16—C48118.9 (2)O2W—Yb2—C48—O16−101.3 (2)
O7—Yb2—O16—C48−138.8 (3)O5—Yb2—C48—O16105.8 (2)
N3—Yb2—O16—C480.7 (3)O4—Yb2—C48—O1651.4 (2)
O17—Yb2—O16—C48−6.8 (2)O8—Yb2—C48—O16−96.4 (3)
C16—Yb2—O16—C48−99.2 (2)O7—Yb2—C48—O1698.8 (4)
C24—Yb2—O16—C48159.4 (3)N3—Yb2—C48—O16−179.4 (2)
O2—Yb2—O16—Yb10.08 (9)O17—Yb2—C48—O16167.7 (4)
O2W—Yb2—O16—Yb1−82.41 (12)C16—Yb2—C48—O1678.8 (2)
O5—Yb2—O16—Yb1133.13 (11)O2—Yb2—C48—C4756.8 (15)
O4—Yb2—O16—Yb179.89 (11)O2W—Yb2—C48—C47−20.6 (15)
O8—Yb2—O16—Yb1−34.86 (19)O5—Yb2—C48—C47−173.5 (15)
O7—Yb2—O16—Yb167.4 (2)O4—Yb2—C48—C47132.1 (15)
N3—Yb2—O16—Yb1−153.10 (11)O8—Yb2—C48—C47−15.7 (16)
O17—Yb2—O16—Yb1−160.54 (16)O7—Yb2—C48—C47179.5 (13)
C16—Yb2—O16—Yb1107.05 (13)O16—Yb2—C48—C4780.7 (15)
C48—Yb2—O16—Yb1−153.8 (3)N3—Yb2—C48—C47−98.8 (15)
O2—Yb2—O17—C48−12.9 (3)O17—Yb2—C48—C47−111.6 (15)
O2W—Yb2—O17—C48−80.4 (2)C16—Yb2—C48—C47159.5 (15)
O5—Yb2—O17—C48113.1 (2)C53—N1—C49—C50−2.3 (6)
O4—Yb2—O17—C4866.8 (2)Yb1—N1—C49—C50173.5 (3)
O8—Yb2—O17—C48−118.6 (2)N1—C49—C50—C510.2 (6)
O7—Yb2—O17—C48149.2 (2)C49—C50—C51—C521.7 (6)
O16—Yb2—O17—C486.9 (2)C49—C50—C51—C56−176.1 (4)
N3—Yb2—O17—C48−167.0 (2)C50—C51—C52—C53−1.4 (6)
C16—Yb2—O17—C4890.0 (2)C56—C51—C52—C53176.3 (4)
C6—C1—C2—C3−0.4 (6)C49—N1—C53—C522.6 (6)
C7—C1—C2—C3−179.3 (4)Yb1—N1—C53—C52−173.4 (3)
C1—C2—C3—C4−0.1 (7)C51—C52—C53—N1−0.8 (7)
C2—C3—C4—O3−179.9 (4)C58—N2—C54—C551.1 (8)
C2—C3—C4—C50.7 (6)N2—C54—C55—C561.5 (9)
C3—C4—C5—C6−0.8 (6)C54—C55—C56—C57−3.0 (7)
O3—C4—C5—C6179.8 (4)C54—C55—C56—C51174.5 (4)
C4—C5—C6—C10.3 (7)C50—C51—C56—C57151.4 (4)
C2—C1—C6—C50.3 (6)C52—C51—C56—C57−26.2 (6)
C7—C1—C6—C5179.3 (4)C50—C51—C56—C55−25.9 (6)
C2—C1—C7—C878.5 (5)C52—C51—C56—C55156.5 (5)
C6—C1—C7—C8−100.4 (5)C55—C56—C57—C582.1 (7)
Yb1—O1—C8—O27.6 (4)C51—C56—C57—C58−175.4 (4)
Yb1—O1—C8—C7−170.9 (4)C54—N2—C58—C57−2.0 (9)
Yb2—O2—C8—O1−164.0 (4)C56—C57—C58—N20.4 (9)
Yb1—O2—C8—O1−7.1 (4)C63—N3—C59—C60−3.8 (6)
Yb2—O2—C8—C714.5 (9)Yb2—N3—C59—C60171.9 (3)
Yb1—O2—C8—C7171.4 (4)N3—C59—C60—C611.6 (7)
Yb2—O2—C8—Yb1−157.0 (6)C59—C60—C61—C622.3 (6)
C1—C7—C8—O2−132.3 (4)C59—C60—C61—C66−173.9 (4)
O1W—Yb1—C8—O1−98.8 (3)C60—C61—C62—C63−3.7 (6)
O13—Yb1—C8—O1108.8 (3)C66—C61—C62—C63172.5 (4)
O14—Yb1—C8—O154.0 (3)C59—N3—C63—C622.3 (6)
O16—Yb1—C8—O1−177.5 (3)Yb2—N3—C63—C62−173.6 (3)
O11—Yb1—C8—O1−98.2 (3)C61—C62—C63—N31.5 (7)
N1—Yb1—C8—O1−22.0 (3)C68—N4—C64—C65−1.3 (8)
O2—Yb1—C8—O1172.7 (4)N4—C64—C65—C66−1.8 (8)
O10—Yb1—C8—O185.1 (4)C64—C65—C66—C673.3 (7)
C40—Yb1—C8—O181.4 (3)C64—C65—C66—C61−174.9 (4)
O1W—Yb1—C8—O288.5 (2)C60—C61—C66—C6715.8 (6)
O13—Yb1—C8—O2−63.9 (2)C62—C61—C66—C67−160.2 (4)
O14—Yb1—C8—O2−118.7 (2)C60—C61—C66—C65−166.1 (4)
O16—Yb1—C8—O29.8 (2)C62—C61—C66—C6517.9 (6)
O11—Yb1—C8—O289.1 (3)C65—C66—C67—C68−1.9 (7)
O1—Yb1—C8—O2−172.7 (4)C61—C66—C67—C68176.4 (4)
N1—Yb1—C8—O2165.3 (2)C64—N4—C68—C672.9 (8)
O10—Yb1—C8—O2−87.6 (4)C66—C67—C68—N4−1.3 (8)
C40—Yb1—C8—O2−91.3 (2)

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
O6—H6B···O15i0.821.902.715 (4)174
O9—H9A···O3ii0.821.942.761 (5)173
O12—H12A···O18iii0.821.922.735 (5)171
O15—H15C···O3W0.821.852.645 (5)162
O2W—H2WA···N2ii0.85 (2)1.98 (2)2.820 (5)176 (6)
O1W—H1WA···O40.83 (5)1.95 (3)2.731 (4)156 (5)
O2W—H2WB···O130.84 (6)2.02 (3)2.741 (4)144 (5)
O1W—H1WB···N4iii0.84 (2)1.98 (3)2.779 (5)159 (6)
O3W—H3WA···O12ii0.81 (6)2.01 (3)2.797 (5)164 (7)

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

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5388).

References

  • Bruker (2006). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
  • Fang, R.-Q. & Zhang, X.-M. (2006). Inorg. Chem.45, 4801–4810. [PubMed]
  • 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]
  • Wang, G.-H., Lei, Y.-Q. & Wang, N. (2010). Cryst. Growth Des.10, 4060-4067.
  • Wang, X.-X. & Sevov, S. (2008). Inorg. Chem.47, 1037–1043. [PubMed]

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