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Acta Crystallogr Sect E Struct Rep Online. 2010 December 1; 66(Pt 12): m1505.
Published online 2010 November 6. doi:  10.1107/S1600536810044107
PMCID: PMC3011410

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′]dysprosium(III)} monohydrate

Abstract

In the title dinuclear complex, [Dy2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O, the DyIII 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 DyIII atoms, the remaining two ligands bridge the two DyIII atoms. In the crystal, O—H(...)O and O—H(...)N hydrogen bonds link the mol­ecules into a three-dimensional network.

Related literature

For background literature on metal–organic complexes, see: Fang & Zhang (2006 [triangle]); Wang et al. (2010 [triangle]); Wang & Sevov (2008 [triangle]). For our previous work, see: Liu et al. (2010 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-m1505-scheme1.jpg

Experimental

Crystal data

  • [Dy2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O
  • M r = 1598.23
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-m1505-efi1.jpg
  • a = 11.7235 (1) Å
  • b = 16.2155 (2) Å
  • c = 18.4135 (2) Å
  • α = 83.4850 (1)°
  • β = 72.2430 (1)°
  • γ = 71.2160 (1)°
  • V = 3155.68 (6) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 2.43 mm−1
  • T = 296 K
  • 0.13 × 0.08 × 0.07 mm

Data collection

  • Bruker APEXII area-detector diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.786, T max = 0.849
  • 40429 measured reflections
  • 11065 independent reflections
  • 10032 reflections with I > 2σ(I)
  • R int = 0.025

Refinement

  • R[F 2 > 2σ(F 2)] = 0.019
  • wR(F 2) = 0.048
  • S = 1.05
  • 11065 reflections
  • 875 parameters
  • 9 restraints
  • H atoms treated by a mixture of independent and constrained refinement
  • Δρmax = 0.32 e Å−3
  • Δρmin = −0.83 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: SHELXTL (Sheldrick, 2008 [triangle]).

Table 1
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810044107/bt5397sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810044107/bt5397Isup2.hkl

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

supplementary crystallographic information

Comment

The design and synthesis of carboxylic mental-organic complexes have been an increasing interest for decades owing to their potential practical applications, such as fluorescence, magnetism (Wang et al., 2010; Fang & Zhang, 2006; Wang et al., 2008). We have worked at it before (Liu et al., 2010). In the paper, we report the crystal structure of a new dysprosium III complex with the ligand p- hydroxyphenylacetic acid. The title compound consist of two Dy (III) cation, six L ligands, two bipy molecules and three water molecules. In the bicentric structure compound, every centric atom is coordinated with seven O atoms from four L ligands,one N atom from 4,4'-bipyridine ligand and one O atom from a water molecule. The centric atom is nine coordinated. The PAA ligands are coordinated by two modes, bridging and bridging tridentate. (Fig.1). The dysprosium III atom is in a distorted capped pentagonal prism environment. The Dy–O bond lengths range from 2.3875 (16) Å-2.5555 (16) Å. The Dy–N distances range from 2.494 (3) Å-2.509 (3) Å. The Dy–O(water) bond length range are 2.5415 (19)Å and 2.5631(19 Å. 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 a 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 Dy[(NO3)3](0.360 g, 1 mmol) dissolved in water(10 ml) was added into the above solution, after stirred for an hour, an ethanol(5 ml) solution of 4,4'-bipyridine(0.156 g, 1 mmol) is 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 a 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 molecules were located in a difference Fourier map and included in the refinement 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

[Dy2(C8H7O3)6(C10H8N2)2(H2O)2]·H2OZ = 2
Mr = 1598.23F(000) = 1600
Triclinic, P1Dx = 1.682 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.7235 (1) ÅCell parameters from 9252 reflections
b = 16.2155 (2) Åθ = 1.2–25.0°
c = 18.4135 (2) ŵ = 2.43 mm1
α = 83.4850 (1)°T = 296 K
β = 72.2430 (1)°Block, colourless
γ = 71.2160 (1)°0.13 × 0.08 × 0.07 mm
V = 3155.68 (6) Å3

Data collection

Bruker APEXII area-detector diffractometer11065 independent reflections
Radiation source: fine-focus sealed tube10032 reflections with I > 2σ(I)
graphiteRint = 0.025
[var phi] and ω scansθmax = 25.0°, θmin = 1.2°
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996)h = −13→13
Tmin = 0.786, Tmax = 0.849k = −19→19
40429 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)] = 0.019Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.048H atoms treated by a mixture of independent and constrained refinement
S = 1.05w = 1/[σ2(Fo2) + (0.0215P)2 + 1.845P] where P = (Fo2 + 2Fc2)/3
11065 reflections(Δ/σ)max = 0.002
875 parametersΔρmax = 0.32 e Å3
9 restraintsΔρmin = −0.83 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
Dy10.271981 (9)0.363948 (6)0.282840 (6)0.02273 (4)
Dy20.131125 (9)0.207461 (6)0.197161 (6)0.02254 (4)
N10.31242 (19)0.50888 (12)0.28243 (12)0.0309 (4)
N20.3936 (3)0.92825 (16)0.2213 (2)0.0619 (8)
N30.08633 (19)0.06439 (12)0.19011 (11)0.0298 (4)
N40.0329 (3)−0.36289 (16)0.2296 (2)0.0627 (8)
C10.2255 (2)0.50889 (16)0.51605 (14)0.0327 (5)
C20.3410 (2)0.51461 (18)0.47221 (15)0.0413 (6)
H2A0.39710.46750.44270.050*
C30.3756 (3)0.58875 (19)0.47098 (16)0.0446 (7)
H3A0.45400.59130.44060.053*
C40.2936 (2)0.65878 (17)0.51481 (16)0.0397 (6)
C50.1790 (3)0.65370 (18)0.56058 (17)0.0441 (7)
H5A0.12440.70010.59150.053*
C60.1448 (2)0.57973 (17)0.56079 (16)0.0408 (6)
H6A0.06640.57730.59140.049*
C70.1860 (3)0.42785 (17)0.51933 (14)0.0387 (6)
H7A0.23120.38250.54840.046*
H7B0.09690.44090.54520.046*
C80.2127 (2)0.39551 (16)0.44026 (14)0.0326 (6)
C90.6224 (2)0.08968 (16)0.30225 (16)0.0357 (6)
C100.6039 (3)0.05837 (17)0.37600 (17)0.0463 (7)
H10A0.59130.09550.41460.056*
C110.6034 (3)−0.02653 (17)0.39483 (16)0.0464 (7)
H11A0.5914−0.04620.44520.056*
C120.6207 (2)−0.08148 (16)0.33835 (15)0.0356 (6)
C130.6383 (3)−0.05151 (17)0.26432 (15)0.0422 (7)
H13A0.6500−0.08860.22590.051*
C140.6389 (3)0.03275 (17)0.24648 (16)0.0406 (6)
H14A0.65060.05210.19600.049*
C150.6248 (3)0.18147 (16)0.28169 (19)0.0463 (7)
H15A0.69080.18060.23440.056*
H15B0.64710.20270.32100.056*
C160.5045 (2)0.24494 (15)0.27220 (14)0.0306 (5)
C170.2727 (3)0.45387 (17)0.01337 (14)0.0392 (6)
C180.1464 (3)0.50122 (19)0.02819 (15)0.0450 (7)
H18A0.08590.47450.05440.054*
C190.1087 (3)0.58734 (19)0.00474 (15)0.0428 (7)
H19A0.02370.61810.01530.051*
C200.1978 (3)0.62747 (16)−0.03442 (15)0.0357 (6)
C210.3236 (2)0.58150 (16)−0.04913 (15)0.0379 (6)
H21A0.38400.6084−0.07500.046*
C220.3600 (3)0.49590 (17)−0.02560 (15)0.0406 (6)
H22A0.44520.4656−0.03610.049*
C230.3125 (4)0.36042 (18)0.04013 (16)0.0534 (8)
H23A0.25770.33070.03220.064*
H23B0.39750.33170.00990.064*
C240.3078 (2)0.35337 (15)0.12322 (14)0.0306 (5)
C250.1422 (3)0.11408 (16)0.47622 (14)0.0358 (6)
C260.0395 (3)0.10685 (17)0.53601 (15)0.0395 (6)
H26A−0.02920.15600.55180.047*
C270.0380 (3)0.02737 (17)0.57250 (15)0.0393 (6)
H27A−0.03090.02350.61280.047*
C280.1386 (2)−0.04553 (16)0.54891 (14)0.0328 (6)
C290.2421 (3)−0.03927 (17)0.48987 (15)0.0390 (6)
H29A0.3108−0.08850.47420.047*
C300.2431 (3)0.04010 (18)0.45449 (15)0.0401 (6)
H30A0.31320.04390.41510.048*
C310.1441 (3)0.19920 (17)0.43400 (15)0.0425 (7)
H31A0.08040.24620.46530.051*
H31B0.22510.20740.42740.051*
C320.1217 (2)0.20597 (14)0.35722 (13)0.0275 (5)
C33−0.2543 (2)0.47975 (15)0.24487 (14)0.0286 (5)
C34−0.2115 (2)0.51805 (16)0.17475 (14)0.0348 (6)
H34A−0.17330.48360.13170.042*
C35−0.2243 (2)0.60543 (17)0.16740 (15)0.0376 (6)
H35A−0.19550.62960.11970.045*
C36−0.2801 (2)0.65755 (15)0.23086 (15)0.0334 (6)
C37−0.3226 (2)0.62099 (16)0.30114 (15)0.0371 (6)
H37A−0.36020.65560.34420.045*
C38−0.3092 (2)0.53266 (16)0.30763 (14)0.0350 (6)
H38A−0.33780.50850.35530.042*
C39−0.2412 (2)0.38403 (15)0.25171 (16)0.0347 (6)
H39A−0.28610.37160.30330.042*
H39B−0.28190.37120.21760.042*
C40−0.1089 (2)0.32384 (14)0.23409 (13)0.0279 (5)
C410.2338 (3)0.05507 (16)−0.04528 (14)0.0367 (6)
C420.3527 (3)0.00417 (17)−0.04189 (14)0.0388 (6)
H42A0.40920.0313−0.03760.047*
C430.3893 (3)−0.08532 (17)−0.04468 (15)0.0424 (6)
H43A0.4698−0.1179−0.04290.051*
C440.3062 (3)−0.12652 (17)−0.05013 (16)0.0436 (7)
C450.1881 (3)−0.07749 (19)−0.05483 (16)0.0466 (7)
H45A0.1321−0.1049−0.05930.056*
C460.1531 (3)0.01245 (18)−0.05282 (15)0.0428 (6)
H46A0.07370.0449−0.05660.051*
C470.1913 (3)0.15330 (17)−0.03899 (15)0.0429 (7)
H47A0.25450.1764−0.07430.051*
H47B0.11380.1776−0.05320.051*
C480.1703 (3)0.18082 (15)0.04088 (14)0.0332 (6)
C490.2297 (2)0.57803 (15)0.32198 (15)0.0337 (6)
H49A0.15640.57120.35630.040*
C500.2471 (2)0.65933 (16)0.31464 (15)0.0349 (6)
H50A0.18690.70540.34390.042*
C510.3547 (2)0.67157 (15)0.26344 (15)0.0337 (6)
C520.4424 (2)0.59920 (16)0.22376 (17)0.0398 (6)
H52A0.51730.60390.18990.048*
C530.4181 (2)0.52075 (16)0.23468 (16)0.0373 (6)
H53A0.47820.47320.20750.045*
C540.4487 (3)0.8668 (2)0.1689 (2)0.0698 (11)
H54A0.49540.88140.12140.084*
C550.4415 (3)0.78259 (18)0.1802 (2)0.0569 (9)
H55A0.48200.74240.14120.068*
C560.3732 (2)0.75912 (16)0.25023 (17)0.0391 (6)
C570.3181 (3)0.82196 (19)0.30564 (19)0.0584 (9)
H57A0.27310.80910.35430.070*
C580.3309 (4)0.9042 (2)0.2879 (2)0.0685 (10)
H58A0.29220.94570.32590.082*
C590.1726 (2)−0.00161 (15)0.14834 (15)0.0359 (6)
H59A0.24590.00780.11630.043*
C600.1586 (3)−0.08352 (16)0.15017 (15)0.0396 (6)
H60A0.2210−0.12700.11910.047*
C610.0521 (2)−0.10088 (15)0.19800 (15)0.0346 (6)
C62−0.0397 (3)−0.03106 (16)0.23919 (16)0.0394 (6)
H62A−0.1148−0.03830.27070.047*
C63−0.0198 (2)0.04895 (16)0.23348 (15)0.0358 (6)
H63A−0.08340.09470.26120.043*
C640.1127 (4)−0.3394 (2)0.1692 (2)0.0668 (11)
H64A0.1675−0.38210.13450.080*
C650.1195 (4)−0.25522 (18)0.15470 (18)0.0581 (9)
H65A0.1759−0.24210.11060.070*
C660.0414 (3)−0.19047 (16)0.20662 (17)0.0408 (7)
C67−0.0427 (3)−0.21453 (19)0.2695 (2)0.0572 (9)
H67A−0.0977−0.17360.30580.069*
C68−0.0440 (3)−0.3001 (2)0.2780 (3)0.0688 (11)
H68A−0.1024−0.31470.32010.083*
O1W0.08706 (17)0.45800 (11)0.25422 (11)0.0358 (4)
O10.31122 (18)0.33502 (12)0.41166 (10)0.0428 (4)
O2W0.32368 (16)0.11269 (11)0.21589 (12)0.0370 (4)
O20.13729 (16)0.43112 (11)0.40150 (10)0.0363 (4)
O30.3302 (2)0.73175 (14)0.51198 (14)0.0615 (6)
H3B0.27200.76990.53790.061 (11)*
O3W0.5567 (2)0.76698 (14)0.49124 (13)0.0546 (5)
O40.49442 (16)0.32416 (11)0.26346 (12)0.0428 (5)
O50.41195 (15)0.21883 (10)0.27596 (11)0.0363 (4)
O60.6236 (2)−0.16704 (12)0.35244 (11)0.0555 (6)
H6B0.5966−0.17500.39840.083*
O70.35201 (18)0.39913 (12)0.14945 (10)0.0424 (5)
O80.25644 (15)0.30037 (10)0.16668 (9)0.0288 (4)
O90.16591 (19)0.71256 (12)−0.05939 (12)0.0521 (5)
H9A0.09510.7267−0.06460.078*
O100.14384 (15)0.26908 (10)0.31314 (9)0.0278 (3)
O110.08268 (17)0.15277 (11)0.33518 (10)0.0347 (4)
O120.14160 (18)−0.12619 (11)0.58221 (11)0.0429 (4)
H12A0.0698−0.12670.60500.064*
O13−0.01518 (15)0.35165 (10)0.20656 (11)0.0352 (4)
O14−0.09143 (16)0.24329 (10)0.24589 (11)0.0392 (4)
O15−0.2902 (2)0.74396 (11)0.22045 (12)0.0506 (5)
H15C−0.31670.76740.26200.076*
O160.25855 (16)0.15612 (11)0.07111 (10)0.0369 (4)
O170.06366 (18)0.22777 (12)0.07857 (10)0.0445 (5)
O180.3458 (2)−0.21560 (13)−0.05106 (15)0.0680 (7)
H18B0.2894−0.2331−0.05450.102*
H2WA0.372 (3)0.131 (2)0.231 (2)0.102*
H2WB0.362 (3)0.0595 (12)0.211 (2)0.102*
H3WB0.499 (3)0.746 (2)0.495 (2)0.102*
H1WA0.036 (3)0.441 (2)0.243 (2)0.102*
H1WB0.059 (4)0.5121 (11)0.250 (2)0.102*
H3WA0.595 (3)0.736 (2)0.521 (2)0.102*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Dy10.02541 (6)0.01619 (6)0.02990 (6)−0.00870 (4)−0.01104 (5)0.00238 (4)
Dy20.02400 (6)0.01511 (6)0.03053 (6)−0.00689 (4)−0.00989 (5)0.00033 (4)
N10.0316 (11)0.0229 (10)0.0412 (12)−0.0107 (9)−0.0127 (9)0.0007 (9)
N20.0572 (17)0.0303 (14)0.113 (3)−0.0220 (13)−0.0433 (17)0.0180 (15)
N30.0358 (11)0.0207 (10)0.0347 (11)−0.0091 (9)−0.0125 (9)0.0008 (8)
N40.080 (2)0.0295 (14)0.109 (3)−0.0250 (14)−0.0667 (19)0.0163 (15)
C10.0360 (14)0.0354 (14)0.0297 (13)−0.0123 (11)−0.0120 (11)−0.0007 (10)
C20.0363 (15)0.0406 (15)0.0425 (15)−0.0079 (12)−0.0051 (12)−0.0116 (12)
C30.0315 (14)0.0498 (17)0.0499 (17)−0.0167 (13)−0.0014 (12)−0.0066 (13)
C40.0352 (14)0.0378 (15)0.0501 (16)−0.0137 (12)−0.0147 (12)−0.0023 (12)
C50.0361 (15)0.0361 (15)0.0560 (18)−0.0064 (12)−0.0075 (13)−0.0132 (13)
C60.0315 (14)0.0418 (15)0.0473 (16)−0.0136 (12)−0.0034 (12)−0.0077 (12)
C70.0495 (16)0.0371 (14)0.0320 (14)−0.0186 (13)−0.0098 (12)0.0003 (11)
C80.0418 (15)0.0311 (13)0.0313 (13)−0.0224 (12)−0.0086 (11)0.0024 (11)
C90.0241 (12)0.0268 (13)0.0572 (17)−0.0033 (10)−0.0179 (12)0.0005 (12)
C100.0626 (19)0.0301 (14)0.0484 (17)−0.0058 (13)−0.0245 (15)−0.0098 (12)
C110.066 (2)0.0342 (15)0.0357 (15)−0.0094 (14)−0.0166 (14)−0.0007 (12)
C120.0398 (15)0.0257 (13)0.0403 (15)−0.0082 (11)−0.0117 (12)−0.0011 (11)
C130.0581 (18)0.0318 (14)0.0360 (15)−0.0127 (13)−0.0115 (13)−0.0064 (11)
C140.0476 (16)0.0343 (14)0.0378 (15)−0.0111 (12)−0.0123 (12)0.0038 (11)
C150.0361 (15)0.0270 (14)0.081 (2)−0.0085 (12)−0.0280 (15)0.0048 (13)
C160.0317 (13)0.0250 (13)0.0371 (14)−0.0096 (11)−0.0121 (11)0.0011 (10)
C170.0662 (19)0.0366 (14)0.0268 (13)−0.0283 (14)−0.0182 (13)0.0029 (11)
C180.0596 (19)0.0584 (19)0.0303 (14)−0.0405 (16)−0.0086 (13)0.0025 (13)
C190.0410 (16)0.0537 (18)0.0385 (15)−0.0190 (14)−0.0113 (12)−0.0067 (13)
C200.0465 (16)0.0329 (14)0.0376 (14)−0.0170 (12)−0.0210 (12)0.0004 (11)
C210.0404 (15)0.0343 (14)0.0466 (16)−0.0203 (12)−0.0161 (12)0.0065 (12)
C220.0466 (16)0.0376 (15)0.0442 (16)−0.0166 (13)−0.0204 (13)0.0047 (12)
C230.100 (3)0.0373 (16)0.0362 (16)−0.0348 (17)−0.0258 (16)0.0069 (12)
C240.0380 (14)0.0241 (12)0.0311 (13)−0.0124 (11)−0.0101 (11)0.0032 (10)
C250.0525 (16)0.0334 (14)0.0334 (14)−0.0230 (13)−0.0216 (12)0.0079 (11)
C260.0452 (15)0.0328 (14)0.0393 (15)−0.0098 (12)−0.0134 (12)0.0013 (11)
C270.0452 (16)0.0400 (15)0.0330 (14)−0.0185 (13)−0.0080 (12)0.0058 (11)
C280.0406 (14)0.0315 (13)0.0344 (14)−0.0185 (12)−0.0175 (11)0.0091 (10)
C290.0387 (15)0.0363 (14)0.0409 (15)−0.0117 (12)−0.0112 (12)0.0046 (12)
C300.0424 (15)0.0472 (16)0.0357 (14)−0.0244 (13)−0.0106 (12)0.0101 (12)
C310.0684 (19)0.0347 (14)0.0409 (15)−0.0296 (14)−0.0280 (14)0.0104 (12)
C320.0281 (12)0.0219 (12)0.0317 (13)−0.0084 (10)−0.0082 (10)0.0039 (10)
C330.0215 (12)0.0238 (12)0.0395 (14)−0.0030 (10)−0.0102 (10)−0.0033 (10)
C340.0367 (14)0.0305 (13)0.0336 (14)−0.0049 (11)−0.0067 (11)−0.0105 (11)
C350.0440 (15)0.0349 (14)0.0330 (14)−0.0137 (12)−0.0090 (12)0.0028 (11)
C360.0353 (14)0.0237 (12)0.0446 (15)−0.0074 (11)−0.0174 (12)−0.0019 (11)
C370.0436 (15)0.0303 (13)0.0346 (14)−0.0045 (12)−0.0112 (12)−0.0095 (11)
C380.0362 (14)0.0309 (13)0.0320 (13)−0.0036 (11)−0.0079 (11)−0.0012 (10)
C390.0282 (13)0.0245 (12)0.0505 (16)−0.0069 (10)−0.0105 (11)−0.0021 (11)
C400.0298 (13)0.0229 (12)0.0328 (13)−0.0067 (10)−0.0113 (10)−0.0038 (10)
C410.0508 (16)0.0336 (14)0.0250 (13)−0.0145 (12)−0.0079 (11)−0.0012 (10)
C420.0438 (16)0.0403 (15)0.0358 (14)−0.0203 (13)−0.0086 (12)0.0000 (11)
C430.0429 (16)0.0384 (15)0.0438 (16)−0.0108 (13)−0.0109 (12)−0.0010 (12)
C440.0531 (18)0.0349 (15)0.0426 (16)−0.0171 (13)−0.0085 (13)−0.0033 (12)
C450.0504 (18)0.0497 (17)0.0468 (17)−0.0268 (15)−0.0096 (13)−0.0060 (13)
C460.0411 (15)0.0460 (16)0.0404 (15)−0.0110 (13)−0.0104 (12)−0.0069 (12)
C470.0585 (18)0.0351 (15)0.0321 (14)−0.0100 (13)−0.0132 (13)−0.0002 (11)
C480.0498 (16)0.0201 (12)0.0311 (13)−0.0137 (12)−0.0118 (12)0.0037 (10)
C490.0341 (14)0.0262 (13)0.0423 (15)−0.0123 (11)−0.0106 (11)0.0023 (11)
C500.0378 (14)0.0241 (12)0.0437 (15)−0.0085 (11)−0.0131 (12)−0.0028 (11)
C510.0375 (14)0.0220 (12)0.0494 (15)−0.0111 (11)−0.0228 (12)0.0039 (11)
C520.0285 (13)0.0287 (14)0.0617 (18)−0.0124 (11)−0.0095 (12)0.0031 (12)
C530.0312 (14)0.0229 (13)0.0561 (17)−0.0082 (11)−0.0089 (12)−0.0036 (11)
C540.0450 (19)0.0388 (18)0.116 (3)−0.0196 (15)−0.0111 (19)0.023 (2)
C550.0424 (17)0.0312 (15)0.085 (2)−0.0126 (13)−0.0014 (16)0.0041 (15)
C560.0383 (15)0.0259 (13)0.0629 (18)−0.0146 (12)−0.0260 (13)0.0072 (12)
C570.095 (3)0.0369 (16)0.058 (2)−0.0314 (17)−0.0324 (18)0.0020 (14)
C580.107 (3)0.0357 (17)0.087 (3)−0.0317 (19)−0.052 (2)0.0004 (17)
C590.0408 (15)0.0258 (13)0.0389 (15)−0.0121 (11)−0.0075 (12)0.0027 (11)
C600.0511 (17)0.0236 (13)0.0429 (15)−0.0077 (12)−0.0149 (13)−0.0028 (11)
C610.0461 (15)0.0247 (12)0.0449 (15)−0.0149 (11)−0.0279 (13)0.0059 (11)
C620.0369 (14)0.0303 (14)0.0545 (17)−0.0153 (12)−0.0135 (13)0.0019 (12)
C630.0359 (14)0.0229 (12)0.0501 (16)−0.0105 (11)−0.0121 (12)−0.0024 (11)
C640.123 (3)0.0313 (16)0.071 (2)−0.0256 (19)−0.061 (2)0.0007 (15)
C650.109 (3)0.0319 (15)0.0502 (18)−0.0292 (17)−0.0403 (19)0.0036 (13)
C660.0529 (17)0.0241 (13)0.0626 (18)−0.0169 (12)−0.0380 (15)0.0066 (12)
C670.0402 (17)0.0330 (16)0.102 (3)−0.0161 (13)−0.0255 (17)0.0126 (16)
C680.051 (2)0.0351 (18)0.131 (3)−0.0234 (16)−0.040 (2)0.026 (2)
O1W0.0391 (10)0.0197 (8)0.0547 (11)−0.0077 (8)−0.0242 (9)0.0012 (8)
O10.0491 (12)0.0382 (10)0.0401 (10)−0.0050 (9)−0.0184 (9)−0.0056 (8)
O2W0.0348 (10)0.0197 (8)0.0618 (12)−0.0053 (8)−0.0242 (9)−0.0009 (8)
O20.0367 (10)0.0388 (10)0.0366 (10)−0.0148 (8)−0.0117 (8)−0.0001 (8)
O30.0478 (13)0.0442 (12)0.0935 (17)−0.0235 (11)−0.0068 (12)−0.0142 (12)
O3W0.0581 (14)0.0522 (13)0.0582 (14)−0.0221 (11)−0.0242 (11)0.0174 (10)
O40.0319 (10)0.0231 (9)0.0745 (14)−0.0104 (8)−0.0184 (9)0.0097 (9)
O50.0305 (9)0.0226 (8)0.0628 (12)−0.0070 (7)−0.0236 (8)−0.0032 (8)
O60.0925 (17)0.0303 (10)0.0436 (12)−0.0255 (11)−0.0118 (11)−0.0006 (8)
O70.0604 (12)0.0465 (11)0.0356 (10)−0.0384 (10)−0.0140 (9)0.0052 (8)
O80.0320 (9)0.0209 (8)0.0345 (9)−0.0122 (7)−0.0081 (7)0.0036 (7)
O90.0557 (13)0.0344 (11)0.0765 (15)−0.0148 (9)−0.0360 (11)0.0091 (10)
O100.0315 (9)0.0218 (8)0.0327 (9)−0.0134 (7)−0.0095 (7)0.0058 (7)
O110.0475 (11)0.0329 (9)0.0352 (10)−0.0261 (8)−0.0163 (8)0.0074 (7)
O120.0459 (11)0.0328 (10)0.0499 (11)−0.0183 (9)−0.0109 (9)0.0112 (8)
O130.0264 (9)0.0215 (8)0.0601 (12)−0.0075 (7)−0.0148 (8)−0.0033 (8)
O140.0302 (9)0.0203 (9)0.0609 (12)−0.0057 (7)−0.0076 (8)0.0021 (8)
O150.0744 (14)0.0247 (9)0.0566 (13)−0.0160 (9)−0.0232 (11)−0.0013 (8)
O160.0381 (10)0.0348 (10)0.0402 (10)−0.0130 (8)−0.0111 (8)−0.0046 (8)
O170.0467 (11)0.0412 (11)0.0386 (10)0.0034 (9)−0.0179 (9)−0.0070 (8)
O180.0727 (16)0.0322 (11)0.1045 (19)−0.0179 (11)−0.0302 (14)−0.0027 (11)

Geometric parameters (Å, °)

Dy1—O1W2.3851 (16)C28—O121.375 (3)
Dy1—O52.3875 (16)C28—C291.384 (4)
Dy1—O102.3910 (15)C29—C301.377 (4)
Dy1—O42.3970 (17)C29—H29A0.9300
Dy1—O22.4045 (17)C30—H30A0.9300
Dy1—O72.4207 (17)C31—C321.501 (3)
Dy1—O12.5163 (18)C31—H31A0.9700
Dy1—N12.5415 (19)C31—H31B0.9700
Dy1—O82.5555 (16)C32—O111.251 (3)
Dy1—C162.750 (2)C32—O101.276 (3)
Dy1—C82.833 (2)C33—C381.379 (3)
Dy1—C242.857 (2)C33—C341.388 (3)
Dy2—O82.3395 (15)C33—C391.504 (3)
Dy2—O142.3800 (17)C34—C351.371 (3)
Dy2—O2W2.3868 (16)C34—H34A0.9300
Dy2—O132.4013 (16)C35—C361.382 (4)
Dy2—O162.4155 (17)C35—H35A0.9300
Dy2—O172.4950 (18)C36—O151.364 (3)
Dy2—O102.5210 (16)C36—C371.377 (4)
Dy2—O112.5495 (16)C37—C381.385 (3)
Dy2—N32.5631 (19)C37—H37A0.9300
Dy2—C402.766 (2)C38—H38A0.9300
Dy2—C482.833 (2)C39—C401.501 (3)
Dy2—C322.913 (2)C39—H39A0.9700
N1—C491.335 (3)C39—H39B0.9700
N1—C531.340 (3)C40—O141.259 (3)
N2—C581.312 (5)C40—O131.263 (3)
N2—C541.328 (5)C41—C461.384 (4)
N3—C591.332 (3)C41—C421.389 (4)
N3—C631.341 (3)C41—C471.515 (4)
N4—C641.325 (5)C42—C431.377 (4)
N4—C681.329 (5)C42—H42A0.9300
C1—C21.375 (4)C43—C441.378 (4)
C1—C61.390 (4)C43—H43A0.9300
C1—C71.517 (3)C44—O181.368 (3)
C2—C31.383 (4)C44—C451.380 (4)
C2—H2A0.9300C45—C461.384 (4)
C3—C41.377 (4)C45—H45A0.9300
C3—H3A0.9300C46—H46A0.9300
C4—O31.373 (3)C47—C481.510 (3)
C4—C51.374 (4)C47—H47A0.9700
C5—C61.381 (4)C47—H47B0.9700
C5—H5A0.9300C48—O161.255 (3)
C6—H6A0.9300C48—O171.266 (3)
C7—C81.511 (3)C49—C501.383 (3)
C7—H7A0.9700C49—H49A0.9300
C7—H7B0.9700C50—C511.384 (4)
C8—O21.260 (3)C50—H50A0.9300
C8—O11.261 (3)C51—C521.388 (4)
C9—C101.373 (4)C51—C561.486 (3)
C9—C141.387 (4)C52—C531.371 (3)
C9—C151.501 (3)C52—H52A0.9300
C10—C111.383 (4)C53—H53A0.9300
C10—H10A0.9300C54—C551.384 (4)
C11—C121.372 (4)C54—H54A0.9300
C11—H11A0.9300C55—C561.379 (4)
C12—C131.371 (4)C55—H55A0.9300
C12—O61.373 (3)C56—C571.381 (4)
C13—C141.370 (4)C57—C581.382 (4)
C13—H13A0.9300C57—H57A0.9300
C14—H14A0.9300C58—H58A0.9300
C15—C161.502 (3)C59—C601.385 (3)
C15—H15A0.9700C59—H59A0.9300
C15—H15B0.9700C60—C611.383 (4)
C16—O41.248 (3)C60—H60A0.9300
C16—O51.267 (3)C61—C621.388 (4)
C17—C221.384 (4)C61—C661.485 (3)
C17—C181.388 (4)C62—C631.378 (3)
C17—C231.507 (4)C62—H62A0.9300
C18—C191.384 (4)C63—H63A0.9300
C18—H18A0.9300C64—C651.385 (4)
C19—C201.381 (4)C64—H64A0.9300
C19—H19A0.9300C65—C661.389 (4)
C20—O91.372 (3)C65—H65A0.9300
C20—C211.377 (4)C66—C671.384 (4)
C21—C221.375 (4)C67—C681.384 (4)
C21—H21A0.9300C67—H67A0.9300
C22—H22A0.9300C68—H68A0.9300
C23—C241.506 (3)O1W—H1WA0.82 (4)
C23—H23A0.9700O1W—H1WB0.836 (18)
C23—H23B0.9700O2W—H2WA0.84 (4)
C24—O71.239 (3)O2W—H2WB0.835 (18)
C24—O81.274 (3)O3—H3B0.8200
C25—C301.380 (4)O3W—H3WB0.83 (4)
C25—C261.389 (4)O3W—H3WA0.84 (4)
C25—C311.509 (3)O6—H6B0.8200
C26—C271.387 (4)O9—H9A0.8200
C26—H26A0.9300O12—H12A0.8200
C27—C281.372 (4)O15—H15C0.8200
C27—H27A0.9300O18—H18B0.8200
O1W—Dy1—O5145.49 (6)C17—C18—H18A119.3
O1W—Dy1—O1079.76 (6)C20—C19—C18119.8 (3)
O5—Dy1—O1073.51 (5)C20—C19—H19A120.1
O1W—Dy1—O4149.48 (6)C18—C19—H19A120.1
O5—Dy1—O454.16 (5)O9—C20—C21118.1 (2)
O10—Dy1—O4127.33 (5)O9—C20—C19122.3 (2)
O1W—Dy1—O274.64 (6)C21—C20—C19119.6 (2)
O5—Dy1—O2122.73 (6)C20—C21—C22120.2 (2)
O10—Dy1—O284.12 (6)C20—C21—H21A119.9
O4—Dy1—O2117.40 (6)C22—C21—H21A119.9
O1W—Dy1—O777.93 (7)C21—C22—C17121.5 (3)
O5—Dy1—O795.15 (7)C21—C22—H22A119.2
O10—Dy1—O7117.23 (5)C17—C22—H22A119.2
O4—Dy1—O776.64 (7)C24—C23—C17112.0 (2)
O2—Dy1—O7141.29 (6)C24—C23—H23A109.2
O1W—Dy1—O1127.01 (6)C17—C23—H23A109.2
O5—Dy1—O175.50 (6)C24—C23—H23B109.2
O10—Dy1—O190.94 (6)C17—C23—H23B109.2
O4—Dy1—O172.16 (7)H23A—C23—H23B107.9
O2—Dy1—O152.47 (6)O7—C24—O8120.1 (2)
O7—Dy1—O1146.87 (6)O7—C24—C23120.6 (2)
O1W—Dy1—N181.08 (6)O8—C24—C23119.3 (2)
O5—Dy1—N1130.28 (6)O7—C24—Dy157.19 (12)
O10—Dy1—N1154.16 (6)O8—C24—Dy163.46 (12)
O4—Dy1—N176.27 (6)C23—C24—Dy1171.76 (19)
O2—Dy1—N174.17 (6)C30—C25—C26118.1 (2)
O7—Dy1—N175.04 (6)C30—C25—C31120.0 (2)
O1—Dy1—N186.87 (6)C26—C25—C31121.8 (3)
O1W—Dy1—O873.66 (6)C27—C26—C25120.9 (3)
O5—Dy1—O875.63 (5)C27—C26—H26A119.5
O10—Dy1—O865.72 (5)C25—C26—H26A119.5
O4—Dy1—O8102.81 (6)C28—C27—C26119.8 (2)
O2—Dy1—O8139.32 (5)C28—C27—H27A120.1
O7—Dy1—O851.83 (5)C26—C27—H27A120.1
O1—Dy1—O8147.02 (5)O12—C28—C27122.4 (2)
N1—Dy1—O8124.37 (6)O12—C28—C29117.6 (2)
O1W—Dy1—C16163.52 (7)C27—C28—C29120.0 (2)
O5—Dy1—C1627.39 (6)C30—C29—C28119.7 (3)
O10—Dy1—C16100.39 (6)C30—C29—H29A120.1
O4—Dy1—C1626.95 (6)C28—C29—H29A120.1
O2—Dy1—C16121.84 (7)C25—C30—C29121.4 (2)
O7—Dy1—C1687.57 (7)C25—C30—H30A119.3
O1—Dy1—C1669.43 (7)C29—C30—H30A119.3
N1—Dy1—C16102.89 (7)C32—C31—C25114.8 (2)
O8—Dy1—C1691.27 (6)C32—C31—H31A108.6
O1W—Dy1—C8100.85 (7)C25—C31—H31A108.6
O5—Dy1—C8100.38 (7)C32—C31—H31B108.6
O10—Dy1—C889.57 (6)C25—C31—H31B108.6
O4—Dy1—C893.85 (7)H31A—C31—H31B107.5
O2—Dy1—C826.23 (7)O11—C32—O10119.3 (2)
O7—Dy1—C8152.05 (6)O11—C32—C31122.9 (2)
O1—Dy1—C826.43 (6)O10—C32—C31117.8 (2)
N1—Dy1—C877.19 (7)O11—C32—Dy260.85 (12)
O8—Dy1—C8155.18 (6)O10—C32—Dy259.63 (12)
C16—Dy1—C895.63 (7)C31—C32—Dy2168.86 (18)
O1W—Dy1—C2472.21 (7)C38—C33—C34117.6 (2)
O5—Dy1—C2487.01 (7)C38—C33—C39121.5 (2)
O10—Dy1—C2491.77 (6)C34—C33—C39121.0 (2)
O4—Dy1—C2491.16 (7)C35—C34—C33121.7 (2)
O2—Dy1—C24146.80 (6)C35—C34—H34A119.2
O7—Dy1—C2425.48 (6)C33—C34—H34A119.2
O1—Dy1—C24160.73 (7)C34—C35—C36120.0 (2)
N1—Dy1—C2498.72 (7)C34—C35—H35A120.0
O8—Dy1—C2426.50 (6)C36—C35—H35A120.0
C16—Dy1—C2491.33 (7)O15—C36—C37122.9 (2)
C8—Dy1—C24172.56 (7)O15—C36—C35117.6 (2)
O8—Dy2—O14128.78 (5)C37—C36—C35119.5 (2)
O8—Dy2—O2W78.63 (6)C36—C37—C38119.9 (2)
O14—Dy2—O2W143.23 (6)C36—C37—H37A120.1
O8—Dy2—O1375.24 (5)C38—C37—H37A120.1
O14—Dy2—O1354.16 (5)C33—C38—C37121.4 (2)
O2W—Dy2—O13147.93 (6)C33—C38—H38A119.3
O8—Dy2—O1680.48 (6)C37—C38—H38A119.3
O14—Dy2—O16127.09 (6)C40—C39—C33115.6 (2)
O2W—Dy2—O1675.56 (6)C40—C39—H39A108.4
O13—Dy2—O16117.35 (6)C33—C39—H39A108.4
O8—Dy2—O1798.92 (6)C40—C39—H39B108.4
O14—Dy2—O1777.53 (6)C33—C39—H39B108.4
O2W—Dy2—O17127.28 (6)H39A—C39—H39B107.4
O13—Dy2—O1775.51 (6)O14—C40—O13119.3 (2)
O16—Dy2—O1752.51 (6)O14—C40—C39118.9 (2)
O8—Dy2—O1067.01 (5)O13—C40—C39121.8 (2)
O14—Dy2—O1091.14 (6)O14—C40—Dy259.17 (12)
O2W—Dy2—O1077.11 (6)O13—C40—Dy260.15 (12)
O13—Dy2—O1075.78 (5)C39—C40—Dy2176.88 (17)
O16—Dy2—O10140.85 (5)C46—C41—C42117.4 (2)
O17—Dy2—O10150.47 (5)C46—C41—C47120.6 (3)
O8—Dy2—O11115.47 (5)C42—C41—C47122.0 (2)
O14—Dy2—O1172.89 (6)C43—C42—C41121.8 (3)
O2W—Dy2—O1172.74 (6)C43—C42—H42A119.1
O13—Dy2—O11102.26 (6)C41—C42—H42A119.1
O16—Dy2—O11140.17 (6)C42—C43—C44119.8 (3)
O17—Dy2—O11144.01 (6)C42—C43—H43A120.1
O10—Dy2—O1150.94 (5)C44—C43—H43A120.1
O8—Dy2—N3153.98 (6)O18—C44—C43117.7 (3)
O14—Dy2—N376.04 (6)O18—C44—C45122.7 (3)
O2W—Dy2—N383.47 (6)C43—C44—C45119.6 (3)
O13—Dy2—N3126.95 (6)C44—C45—C46120.0 (3)
O16—Dy2—N376.84 (6)C44—C45—H45A120.0
O17—Dy2—N377.16 (6)C46—C45—H45A120.0
O10—Dy2—N3126.89 (5)C41—C46—C45121.4 (3)
O11—Dy2—N376.19 (6)C41—C46—H46A119.3
O8—Dy2—C40102.16 (6)C45—C46—H46A119.3
O14—Dy2—C4027.02 (6)C48—C47—C41111.7 (2)
O2W—Dy2—C40158.16 (7)C48—C47—H47A109.3
O13—Dy2—C4027.15 (6)C41—C47—H47A109.3
O16—Dy2—C40126.26 (6)C48—C47—H47B109.3
O17—Dy2—C4074.43 (6)C41—C47—H47B109.3
O10—Dy2—C4083.12 (6)H47A—C47—H47B107.9
O11—Dy2—C4087.66 (6)O16—C48—O17119.2 (2)
N3—Dy2—C40101.47 (6)O16—C48—C47120.1 (2)
O8—Dy2—C4891.51 (6)O17—C48—C47120.8 (2)
O14—Dy2—C48101.99 (7)O16—C48—Dy258.01 (13)
O2W—Dy2—C48100.92 (7)O17—C48—Dy261.67 (13)
O13—Dy2—C4898.06 (7)C47—C48—Dy2171.73 (16)
O16—Dy2—C4826.14 (7)N1—C49—C50123.6 (2)
O17—Dy2—C4826.52 (7)N1—C49—H49A118.2
O10—Dy2—C48158.48 (6)C50—C49—H49A118.2
O11—Dy2—C48149.50 (6)C51—C50—C49119.4 (2)
N3—Dy2—C4873.42 (6)C51—C50—H50A120.3
C40—Dy2—C48100.87 (7)C49—C50—H50A120.3
O8—Dy2—C3290.63 (6)C50—C51—C52117.1 (2)
O14—Dy2—C3283.91 (7)C50—C51—C56121.1 (2)
O2W—Dy2—C3270.31 (7)C52—C51—C56121.8 (2)
O13—Dy2—C3291.58 (6)C53—C52—C51119.8 (2)
O16—Dy2—C32145.79 (6)C53—C52—H52A120.1
O17—Dy2—C32161.26 (6)C51—C52—H52A120.1
O10—Dy2—C3225.89 (5)N1—C53—C52123.6 (2)
O11—Dy2—C3225.37 (6)N1—C53—H53A118.2
N3—Dy2—C32101.00 (6)C52—C53—H53A118.2
C40—Dy2—C3287.85 (7)N2—C54—C55124.5 (3)
C48—Dy2—C32170.36 (7)N2—C54—H54A117.8
C49—N1—C53116.5 (2)C55—C54—H54A117.8
C49—N1—Dy1124.22 (16)C56—C55—C54119.0 (3)
C53—N1—Dy1118.95 (16)C56—C55—H55A120.5
C58—N2—C54115.6 (3)C54—C55—H55A120.5
C59—N3—C63116.4 (2)C55—C56—C57116.9 (3)
C59—N3—Dy2121.40 (16)C55—C56—C51121.0 (3)
C63—N3—Dy2121.92 (16)C57—C56—C51121.9 (3)
C64—N4—C68116.3 (3)C56—C57—C58119.1 (3)
C2—C1—C6117.8 (2)C56—C57—H57A120.4
C2—C1—C7122.6 (2)C58—C57—H57A120.4
C6—C1—C7119.6 (2)N2—C58—C57124.9 (3)
C1—C2—C3121.6 (2)N2—C58—H58A117.6
C1—C2—H2A119.2C57—C58—H58A117.6
C3—C2—H2A119.2N3—C59—C60123.3 (2)
C4—C3—C2119.8 (2)N3—C59—H59A118.3
C4—C3—H3A120.1C60—C59—H59A118.3
C2—C3—H3A120.1C61—C60—C59120.3 (2)
O3—C4—C5121.8 (2)C61—C60—H60A119.8
O3—C4—C3118.5 (2)C59—C60—H60A119.8
C5—C4—C3119.6 (2)C60—C61—C62116.2 (2)
C4—C5—C6120.1 (3)C60—C61—C66121.0 (2)
C4—C5—H5A119.9C62—C61—C66122.8 (2)
C6—C5—H5A119.9C63—C62—C61120.1 (2)
C5—C6—C1121.1 (2)C63—C62—H62A119.9
C5—C6—H6A119.5C61—C62—H62A119.9
C1—C6—H6A119.5N3—C63—C62123.5 (2)
C8—C7—C1111.2 (2)N3—C63—H63A118.2
C8—C7—H7A109.4C62—C63—H63A118.2
C1—C7—H7A109.4N4—C64—C65124.0 (3)
C8—C7—H7B109.4N4—C64—H64A118.0
C1—C7—H7B109.4C65—C64—H64A118.0
H7A—C7—H7B108.0C64—C65—C66119.4 (3)
O2—C8—O1119.5 (2)C64—C65—H65A120.3
O2—C8—C7119.6 (2)C66—C65—H65A120.3
O1—C8—C7120.9 (2)C67—C66—C65116.8 (3)
O2—C8—Dy157.54 (13)C67—C66—C61121.1 (3)
O1—C8—Dy162.64 (13)C65—C66—C61122.0 (3)
C7—C8—Dy1169.54 (16)C66—C67—C68119.3 (3)
C10—C9—C14117.2 (2)C66—C67—H67A120.3
C10—C9—C15122.2 (3)C68—C67—H67A120.3
C14—C9—C15120.6 (3)N4—C68—C67124.1 (4)
C9—C10—C11122.2 (3)N4—C68—H68A118.0
C9—C10—H10A118.9C67—C68—H68A118.0
C11—C10—H10A118.9Dy1—O1W—H1WA124 (3)
C12—C11—C10119.3 (3)Dy1—O1W—H1WB133 (3)
C12—C11—H11A120.4H1WA—O1W—H1WB103 (2)
C10—C11—H11A120.4C8—O1—Dy190.93 (15)
C11—C12—C13119.6 (2)Dy2—O2W—H2WA122 (3)
C11—C12—O6122.6 (2)Dy2—O2W—H2WB135 (3)
C13—C12—O6117.8 (2)H2WA—O2W—H2WB103 (2)
C14—C13—C12120.5 (3)C8—O2—Dy196.23 (15)
C14—C13—H13A119.8C4—O3—H3B109.5
C12—C13—H13A119.8H3WB—O3W—H3WA103 (2)
C13—C14—C9121.3 (3)C16—O4—Dy192.51 (14)
C13—C14—H14A119.4C16—O5—Dy192.47 (13)
C9—C14—H14A119.4C12—O6—H6B109.5
C9—C15—C16115.7 (2)C24—O7—Dy197.33 (14)
C9—C15—H15A108.3C24—O8—Dy2153.71 (16)
C16—C15—H15A108.3C24—O8—Dy190.05 (14)
C9—C15—H15B108.3Dy2—O8—Dy1113.91 (6)
C16—C15—H15B108.3C20—O9—H9A109.5
H15A—C15—H15B107.4C32—O10—Dy1142.46 (15)
O4—C16—O5120.0 (2)C32—O10—Dy294.48 (13)
O4—C16—C15119.6 (2)Dy1—O10—Dy2113.35 (6)
O5—C16—C15120.3 (2)C32—O11—Dy293.79 (13)
O4—C16—Dy160.53 (12)C28—O12—H12A109.5
O5—C16—Dy160.14 (12)C40—O13—Dy292.70 (13)
C15—C16—Dy1169.7 (2)C40—O14—Dy293.81 (14)
C22—C17—C18117.6 (2)C36—O15—H15C109.5
C22—C17—C23121.6 (3)C48—O16—Dy295.85 (15)
C18—C17—C23120.7 (3)C48—O17—Dy291.81 (15)
C19—C18—C17121.3 (2)C44—O18—H18B109.5
C19—C18—H18A119.3
O1W—Dy1—N1—C4951.33 (19)O2W—Dy2—C48—O17174.16 (14)
O5—Dy1—N1—C49−144.87 (18)O13—Dy2—C48—O17−31.82 (15)
O10—Dy1—N1—C498.8 (3)O16—Dy2—C48—O17−171.7 (2)
O4—Dy1—N1—C49−149.3 (2)O10—Dy2—C48—O17−103.3 (2)
O2—Dy1—N1—C49−25.12 (18)O11—Dy2—C48—O1799.69 (18)
O7—Dy1—N1—C49131.1 (2)N3—Dy2—C48—O1794.43 (15)
O1—Dy1—N1—C49−76.90 (19)C40—Dy2—C48—O17−4.43 (16)
O8—Dy1—N1—C49114.43 (19)C53—N1—C49—C501.4 (4)
C16—Dy1—N1—C49−144.97 (19)Dy1—N1—C49—C50−172.38 (19)
C8—Dy1—N1—C49−52.03 (19)N1—C49—C50—C510.6 (4)
C24—Dy1—N1—C49121.65 (19)C49—C50—C51—C52−2.2 (4)
O1W—Dy1—N1—C53−122.30 (19)C49—C50—C51—C56176.1 (2)
O5—Dy1—N1—C5341.5 (2)C50—C51—C52—C531.9 (4)
O10—Dy1—N1—C53−164.83 (16)C56—C51—C52—C53−176.3 (3)
O4—Dy1—N1—C5337.08 (18)C49—N1—C53—C52−1.7 (4)
O2—Dy1—N1—C53161.25 (19)Dy1—N1—C53—C52172.4 (2)
O7—Dy1—N1—C53−42.50 (18)C51—C52—C53—N10.0 (4)
O1—Dy1—N1—C53109.47 (19)C58—N2—C54—C551.3 (5)
O8—Dy1—N1—C53−59.2 (2)N2—C54—C55—C56−0.2 (5)
C16—Dy1—N1—C5341.4 (2)C54—C55—C56—C57−1.4 (5)
C8—Dy1—N1—C53134.34 (19)C54—C55—C56—C51175.4 (3)
C24—Dy1—N1—C53−51.98 (19)C50—C51—C56—C55−149.2 (3)
O8—Dy2—N3—C590.4 (3)C52—C51—C56—C5529.0 (4)
O14—Dy2—N3—C59164.50 (19)C50—C51—C56—C5727.5 (4)
O2W—Dy2—N3—C59−46.27 (18)C52—C51—C56—C57−154.3 (3)
O13—Dy2—N3—C59144.87 (17)C55—C56—C57—C581.8 (5)
O16—Dy2—N3—C5930.37 (18)C51—C56—C57—C58−175.0 (3)
O17—Dy2—N3—C5984.38 (19)C54—N2—C58—C57−0.8 (5)
O10—Dy2—N3—C59−114.75 (18)C56—C57—C58—N2−0.7 (6)
O11—Dy2—N3—C59−120.04 (19)C63—N3—C59—C60−2.2 (4)
C40—Dy2—N3—C59155.28 (18)Dy2—N3—C59—C60171.7 (2)
C48—Dy2—N3—C5957.21 (18)N3—C59—C60—C61−1.2 (4)
C32—Dy2—N3—C59−114.69 (18)C59—C60—C61—C623.6 (4)
O8—Dy2—N3—C63173.99 (16)C59—C60—C61—C66−173.6 (2)
O14—Dy2—N3—C63−21.87 (18)C60—C61—C62—C63−2.6 (4)
O2W—Dy2—N3—C63127.36 (19)C66—C61—C62—C63174.5 (2)
O13—Dy2—N3—C63−41.5 (2)C59—N3—C63—C623.3 (4)
O16—Dy2—N3—C63−156.00 (19)Dy2—N3—C63—C62−170.6 (2)
O17—Dy2—N3—C63−101.99 (19)C61—C62—C63—N3−0.9 (4)
O10—Dy2—N3—C6358.9 (2)C68—N4—C64—C650.1 (5)
O11—Dy2—N3—C6353.59 (18)N4—C64—C65—C661.8 (5)
C40—Dy2—N3—C63−31.09 (19)C64—C65—C66—C67−2.1 (4)
C48—Dy2—N3—C63−129.2 (2)C64—C65—C66—C61174.3 (3)
C32—Dy2—N3—C6358.94 (19)C60—C61—C66—C67159.6 (3)
C6—C1—C2—C3−1.3 (4)C62—C61—C66—C67−17.5 (4)
C7—C1—C2—C3−179.1 (3)C60—C61—C66—C65−16.7 (4)
C1—C2—C3—C40.4 (4)C62—C61—C66—C65166.3 (3)
C2—C3—C4—O3−179.5 (3)C65—C66—C67—C680.7 (4)
C2—C3—C4—C51.3 (4)C61—C66—C67—C68−175.8 (3)
O3—C4—C5—C6178.8 (3)C64—N4—C68—C67−1.6 (5)
C3—C4—C5—C6−2.0 (4)C66—C67—C68—N41.3 (5)
C4—C5—C6—C11.0 (4)O2—C8—O1—Dy19.2 (2)
C2—C1—C6—C50.6 (4)C7—C8—O1—Dy1−168.7 (2)
C7—C1—C6—C5178.4 (3)O1W—Dy1—O1—C8−9.26 (17)
C2—C1—C7—C8−48.1 (3)O5—Dy1—O1—C8−159.82 (15)
C6—C1—C7—C8134.2 (3)O10—Dy1—O1—C8−87.13 (14)
C1—C7—C8—O2−80.7 (3)O4—Dy1—O1—C8143.69 (15)
C1—C7—C8—O197.2 (3)O2—Dy1—O1—C8−5.28 (13)
C1—C7—C8—Dy1−9.7 (12)O7—Dy1—O1—C8123.28 (15)
O1W—Dy1—C8—O21.98 (14)N1—Dy1—O1—C867.11 (14)
O5—Dy1—C8—O2−150.65 (13)O8—Dy1—O1—C8−130.22 (14)
O10—Dy1—C8—O2−77.51 (14)C16—Dy1—O1—C8172.12 (16)
O4—Dy1—C8—O2155.10 (14)C24—Dy1—O1—C8174.79 (18)
O7—Dy1—C8—O286.7 (2)O1—C8—O2—Dy1−9.7 (2)
O1—Dy1—C8—O2−170.5 (2)C7—C8—O2—Dy1168.26 (18)
N1—Dy1—C8—O280.12 (14)O1W—Dy1—O2—C8−177.98 (15)
O8—Dy1—C8—O2−72.5 (2)O5—Dy1—O2—C834.96 (16)
C16—Dy1—C8—O2−177.91 (14)O10—Dy1—O2—C8101.05 (14)
O1W—Dy1—C8—O1172.48 (14)O4—Dy1—O2—C8−28.24 (15)
O5—Dy1—C8—O119.85 (15)O7—Dy1—O2—C8−131.57 (14)
O10—Dy1—C8—O192.99 (14)O1—Dy1—O2—C85.31 (13)
O4—Dy1—C8—O1−34.40 (14)N1—Dy1—O2—C8−93.10 (14)
O2—Dy1—C8—O1170.5 (2)O8—Dy1—O2—C8142.12 (13)
O7—Dy1—C8—O1−102.84 (19)C16—Dy1—O2—C82.45 (16)
N1—Dy1—C8—O1−109.38 (15)C24—Dy1—O2—C8−174.73 (13)
O8—Dy1—C8—O198.03 (19)O5—C16—O4—Dy19.2 (3)
C16—Dy1—C8—O1−7.41 (15)C15—C16—O4—Dy1−168.1 (2)
O1W—Dy1—C8—C7−75.1 (10)O1W—Dy1—O4—C16−146.09 (15)
O5—Dy1—C8—C7132.3 (10)O5—Dy1—O4—C16−5.17 (14)
O10—Dy1—C8—C7−154.5 (10)O10—Dy1—O4—C162.47 (18)
O4—Dy1—C8—C778.1 (10)O2—Dy1—O4—C16106.96 (16)
O2—Dy1—C8—C7−77.0 (10)O7—Dy1—O4—C16−111.75 (16)
O7—Dy1—C8—C79.6 (11)O1—Dy1—O4—C1679.54 (16)
O1—Dy1—C8—C7112.5 (11)N1—Dy1—O4—C16170.67 (17)
N1—Dy1—C8—C73.1 (10)O8—Dy1—O4—C16−66.61 (16)
O8—Dy1—C8—C7−149.5 (10)C8—Dy1—O4—C1694.86 (16)
C16—Dy1—C8—C7105.1 (10)C24—Dy1—O4—C16−90.64 (16)
C14—C9—C10—C111.0 (4)O4—C16—O5—Dy1−9.2 (3)
C15—C9—C10—C11−179.1 (3)C15—C16—O5—Dy1168.1 (2)
C9—C10—C11—C12−0.6 (5)O1W—Dy1—O5—C16150.68 (15)
C10—C11—C12—C130.1 (4)O10—Dy1—O5—C16−168.57 (16)
C10—C11—C12—O6178.8 (3)O4—Dy1—O5—C165.10 (14)
C11—C12—C13—C140.1 (4)O2—Dy1—O5—C16−97.06 (15)
O6—C12—C13—C14−178.7 (3)O7—Dy1—O5—C1674.53 (15)
C12—C13—C14—C90.3 (4)O1—Dy1—O5—C16−73.16 (15)
C10—C9—C14—C13−0.8 (4)N1—Dy1—O5—C16−0.20 (18)
C15—C9—C14—C13179.3 (3)O8—Dy1—O5—C16122.95 (15)
C10—C9—C15—C16−98.1 (3)C8—Dy1—O5—C16−82.14 (15)
C14—C9—C15—C1681.8 (3)C24—Dy1—O5—C1698.70 (15)
C9—C15—C16—O4172.1 (3)O8—C24—O7—Dy1−8.6 (3)
C9—C15—C16—O5−5.2 (4)C23—C24—O7—Dy1170.7 (2)
C9—C15—C16—Dy184.4 (10)O1W—Dy1—O7—C24−73.89 (16)
O1W—Dy1—C16—O493.0 (3)O5—Dy1—O7—C2471.88 (16)
O5—Dy1—C16—O4170.9 (3)O10—Dy1—O7—C24−2.21 (17)
O10—Dy1—C16—O4−178.00 (15)O4—Dy1—O7—C24123.15 (16)
O2—Dy1—C16—O4−88.50 (16)O2—Dy1—O7—C24−119.47 (16)
O7—Dy1—C16—O464.75 (16)O1—Dy1—O7—C24143.10 (15)
O1—Dy1—C16—O4−90.92 (16)N1—Dy1—O7—C24−157.75 (17)
N1—Dy1—C16—O4−9.30 (17)O8—Dy1—O7—C244.69 (14)
O8—Dy1—C16—O4116.46 (15)C16—Dy1—O7—C2498.22 (16)
C8—Dy1—C16—O4−87.41 (16)C8—Dy1—O7—C24−164.34 (16)
C24—Dy1—C16—O489.96 (16)O7—C24—O8—Dy2164.5 (2)
O1W—Dy1—C16—O5−77.9 (3)C23—C24—O8—Dy2−14.7 (5)
O10—Dy1—C16—O511.14 (15)Dy1—C24—O8—Dy2156.5 (3)
O4—Dy1—C16—O5−170.9 (3)O7—C24—O8—Dy18.1 (2)
O2—Dy1—C16—O5100.64 (15)C23—C24—O8—Dy1−171.2 (2)
O7—Dy1—C16—O5−106.11 (15)O14—Dy2—O8—C24−82.2 (4)
O1—Dy1—C16—O598.22 (15)O2W—Dy2—O8—C24125.3 (4)
N1—Dy1—C16—O5179.85 (14)O13—Dy2—O8—C24−73.5 (3)
O8—Dy1—C16—O5−54.40 (14)O16—Dy2—O8—C2448.3 (3)
C8—Dy1—C16—O5101.73 (15)O17—Dy2—O8—C24−1.1 (4)
C24—Dy1—C16—O5−80.90 (15)O10—Dy2—O8—C24−154.0 (4)
O1W—Dy1—C16—C15−173.4 (8)O11—Dy2—O8—C24−170.2 (3)
O5—Dy1—C16—C15−95.6 (10)N3—Dy2—O8—C2477.9 (4)
O10—Dy1—C16—C15−84.4 (10)C40—Dy2—O8—C24−77.0 (4)
O4—Dy1—C16—C1593.6 (10)C48—Dy2—O8—C2424.5 (3)
O2—Dy1—C16—C155.1 (10)C32—Dy2—O8—C24−164.9 (3)
O7—Dy1—C16—C15158.3 (10)O14—Dy2—O8—Dy171.87 (9)
O1—Dy1—C16—C152.7 (9)O2W—Dy2—O8—Dy1−80.57 (7)
N1—Dy1—C16—C1584.3 (10)O13—Dy2—O8—Dy180.66 (7)
O8—Dy1—C16—C15−150.0 (9)O16—Dy2—O8—Dy1−157.61 (7)
C8—Dy1—C16—C156.2 (10)O17—Dy2—O8—Dy1153.00 (6)
C24—Dy1—C16—C15−176.5 (9)O10—Dy2—O8—Dy10.11 (5)
C22—C17—C18—C190.2 (4)O11—Dy2—O8—Dy1−16.10 (9)
C23—C17—C18—C19179.2 (2)N3—Dy2—O8—Dy1−128.02 (12)
C17—C18—C19—C200.2 (4)C40—Dy2—O8—Dy177.13 (7)
C18—C19—C20—O9179.7 (2)C48—Dy2—O8—Dy1178.59 (7)
C18—C19—C20—C21−0.6 (4)C32—Dy2—O8—Dy1−10.81 (7)
O9—C20—C21—C22−179.6 (2)O1W—Dy1—O8—C2482.80 (14)
C19—C20—C21—C220.7 (4)O5—Dy1—O8—C24−113.14 (14)
C20—C21—C22—C17−0.3 (4)O10—Dy1—O8—C24168.74 (15)
C18—C17—C22—C21−0.1 (4)O4—Dy1—O8—C24−65.84 (14)
C23—C17—C22—C21−179.2 (2)O2—Dy1—O8—C24122.93 (14)
C22—C17—C23—C2499.0 (3)O7—Dy1—O8—C24−4.53 (13)
C18—C17—C23—C24−80.1 (3)O1—Dy1—O8—C24−142.72 (14)
C17—C23—C24—O7−45.9 (4)N1—Dy1—O8—C2416.15 (16)
C17—C23—C24—O8133.3 (3)C16—Dy1—O8—C24−90.43 (14)
O1W—Dy1—C24—O799.37 (16)C8—Dy1—O8—C24163.21 (17)
O5—Dy1—C24—O7−108.59 (16)O1W—Dy1—O8—Dy2−86.05 (7)
O10—Dy1—C24—O7178.03 (16)O5—Dy1—O8—Dy278.00 (7)
O4—Dy1—C24—O7−54.57 (16)O10—Dy1—O8—Dy2−0.12 (5)
O2—Dy1—C24—O796.07 (18)O4—Dy1—O8—Dy2125.31 (7)
O1—Dy1—C24—O7−84.0 (2)O2—Dy1—O8—Dy2−45.92 (11)
N1—Dy1—C24—O721.72 (16)O7—Dy1—O8—Dy2−173.38 (10)
O8—Dy1—C24—O7−171.7 (2)O1—Dy1—O8—Dy248.43 (13)
C16—Dy1—C24—O7−81.53 (16)N1—Dy1—O8—Dy2−152.70 (7)
O1W—Dy1—C24—O8−88.92 (14)C16—Dy1—O8—Dy2100.72 (7)
O5—Dy1—C24—O863.12 (13)C8—Dy1—O8—Dy2−5.64 (18)
O10—Dy1—C24—O8−10.26 (14)C24—Dy1—O8—Dy2−168.85 (17)
O4—Dy1—C24—O8117.14 (13)O11—C32—O10—Dy1−151.33 (18)
O2—Dy1—C24—O8−92.22 (16)C31—C32—O10—Dy128.6 (4)
O7—Dy1—C24—O8171.7 (2)Dy2—C32—O10—Dy1−139.0 (2)
O1—Dy1—C24—O887.7 (2)O11—C32—O10—Dy2−12.3 (2)
N1—Dy1—C24—O8−166.57 (13)C31—C32—O10—Dy2167.6 (2)
C16—Dy1—C24—O890.18 (14)O1W—Dy1—O10—C32−148.8 (2)
C30—C25—C26—C27−0.4 (4)O5—Dy1—O10—C3253.3 (2)
C31—C25—C26—C27177.9 (2)O4—Dy1—O10—C3246.8 (3)
C25—C26—C27—C28−0.7 (4)O2—Dy1—O10—C32−73.4 (2)
C26—C27—C28—O12−179.1 (2)O7—Dy1—O10—C32140.6 (2)
C26—C27—C28—C291.3 (4)O1—Dy1—O10—C32−21.3 (2)
O12—C28—C29—C30179.6 (2)N1—Dy1—O10—C32−106.0 (3)
C27—C28—C29—C30−0.7 (4)O8—Dy1—O10—C32134.7 (3)
C26—C25—C30—C291.0 (4)C16—Dy1—O10—C3248.0 (2)
C31—C25—C30—C29−177.4 (2)C8—Dy1—O10—C32−47.7 (2)
C28—C29—C30—C25−0.5 (4)C24—Dy1—O10—C32139.7 (2)
C30—C25—C31—C3275.4 (3)O1W—Dy1—O10—Dy276.68 (7)
C26—C25—C31—C32−102.9 (3)O5—Dy1—O10—Dy2−81.24 (7)
C25—C31—C32—O1112.1 (4)O4—Dy1—O10—Dy2−87.70 (9)
C25—C31—C32—O10−167.9 (2)O2—Dy1—O10—Dy2152.08 (7)
C25—C31—C32—Dy2−94.3 (8)O7—Dy1—O10—Dy26.06 (9)
O8—Dy2—C32—O11−168.79 (14)O1—Dy1—O10—Dy2−155.81 (7)
O14—Dy2—C32—O1162.26 (14)N1—Dy1—O10—Dy2119.41 (13)
O2W—Dy2—C32—O11−91.10 (14)O8—Dy1—O10—Dy20.11 (5)
O13—Dy2—C32—O11115.96 (14)C16—Dy1—O10—Dy2−86.56 (8)
O16—Dy2—C32—O11−94.94 (16)C8—Dy1—O10—Dy2177.79 (8)
O17—Dy2—C32—O1170.2 (2)C24—Dy1—O10—Dy25.11 (7)
O10—Dy2—C32—O11167.7 (2)O8—Dy2—O10—C32−154.30 (14)
N3—Dy2—C32—O11−12.21 (15)O14—Dy2—O10—C3273.49 (13)
C40—Dy2—C32—O1189.06 (14)O2W—Dy2—O10—C32−71.33 (13)
O8—Dy2—C32—O1023.53 (13)O13—Dy2—O10—C32125.95 (14)
O14—Dy2—C32—O10−105.42 (13)O16—Dy2—O10—C32−117.97 (14)
O2W—Dy2—C32—O10101.22 (14)O17—Dy2—O10—C32139.73 (15)
O13—Dy2—C32—O10−51.72 (13)O11—Dy2—O10—C326.76 (12)
O16—Dy2—C32—O1097.39 (15)N3—Dy2—O10—C320.14 (15)
O17—Dy2—C32—O10−97.5 (2)C40—Dy2—O10—C3299.34 (14)
O11—Dy2—C32—O10−167.7 (2)C48—Dy2—O10—C32−158.43 (18)
N3—Dy2—C32—O10−179.88 (12)O8—Dy2—O10—Dy1−0.12 (5)
C40—Dy2—C32—O10−78.61 (13)O14—Dy2—O10—Dy1−132.33 (7)
O8—Dy2—C32—C31−56.1 (8)O2W—Dy2—O10—Dy182.85 (7)
O14—Dy2—C32—C31175.0 (8)O13—Dy2—O10—Dy1−79.87 (7)
O2W—Dy2—C32—C3121.6 (8)O16—Dy2—O10—Dy136.21 (11)
O13—Dy2—C32—C31−131.3 (8)O17—Dy2—O10—Dy1−66.09 (14)
O16—Dy2—C32—C3117.8 (9)O11—Dy2—O10—Dy1160.94 (10)
O17—Dy2—C32—C31−177.1 (7)N3—Dy2—O10—Dy1154.32 (7)
O10—Dy2—C32—C31−79.6 (8)C40—Dy2—O10—Dy1−106.48 (7)
O11—Dy2—C32—C31112.7 (9)C48—Dy2—O10—Dy1−4.2 (2)
N3—Dy2—C32—C31100.5 (8)C32—Dy2—O10—Dy1154.18 (16)
C40—Dy2—C32—C31−158.2 (8)O10—C32—O11—Dy212.2 (2)
C38—C33—C34—C35−0.7 (4)C31—C32—O11—Dy2−167.7 (2)
C39—C33—C34—C35179.1 (2)O8—Dy2—O11—C3212.44 (15)
C33—C34—C35—C360.5 (4)O14—Dy2—O11—C32−112.96 (14)
C34—C35—C36—O15179.9 (2)O2W—Dy2—O11—C3280.31 (14)
C34—C35—C36—C37−0.1 (4)O13—Dy2—O11—C32−66.89 (14)
O15—C36—C37—C38−180.0 (2)O16—Dy2—O11—C32119.01 (14)
C35—C36—C37—C380.0 (4)O17—Dy2—O11—C32−149.04 (13)
C34—C33—C38—C370.6 (4)O10—Dy2—O11—C32−6.89 (13)
C39—C33—C38—C37−179.2 (2)N3—Dy2—O11—C32167.66 (15)
C36—C37—C38—C33−0.3 (4)C40—Dy2—O11—C32−89.93 (14)
C38—C33—C39—C40−114.6 (3)C48—Dy2—O11—C32162.46 (15)
C34—C33—C39—C4065.6 (3)O14—C40—O13—Dy21.5 (2)
C33—C39—C40—O14173.1 (2)C39—C40—O13—Dy2−177.2 (2)
C33—C39—C40—O13−8.2 (4)O8—Dy2—O13—C40−172.42 (15)
O8—Dy2—C40—O14−170.95 (14)O14—Dy2—O13—C40−0.87 (13)
O2W—Dy2—C40—O14−81.2 (2)O2W—Dy2—O13—C40−135.97 (15)
O13—Dy2—C40—O14−178.4 (2)O16—Dy2—O13—C40116.77 (14)
O16—Dy2—C40—O14102.01 (15)O17—Dy2—O13—C4084.06 (14)
O17—Dy2—C40—O1493.04 (15)O10—Dy2—O13—C40−102.90 (14)
O10—Dy2—C40—O14−106.32 (15)O11—Dy2—O13—C40−58.98 (14)
O11—Dy2—C40—O14−55.39 (14)N3—Dy2—O13—C4022.85 (17)
N3—Dy2—C40—O1420.01 (15)C48—Dy2—O13—C4098.13 (15)
C48—Dy2—C40—O1495.09 (15)C32—Dy2—O13—C40−82.19 (14)
C32—Dy2—C40—O14−80.78 (15)O13—C40—O14—Dy2−1.5 (2)
O8—Dy2—C40—O137.49 (15)C39—C40—O14—Dy2177.20 (19)
O14—Dy2—C40—O13178.4 (2)O8—Dy2—O14—C4011.37 (18)
O2W—Dy2—C40—O1397.3 (2)O2W—Dy2—O14—C40142.11 (14)
O16—Dy2—C40—O13−79.54 (15)O13—Dy2—O14—C400.87 (13)
O17—Dy2—C40—O13−88.51 (14)O16—Dy2—O14—C40−98.60 (15)
O10—Dy2—C40—O1372.13 (14)O17—Dy2—O14—C40−80.13 (15)
O11—Dy2—C40—O13123.06 (14)O10—Dy2—O14—C4072.36 (15)
N3—Dy2—C40—O13−161.54 (14)O11—Dy2—O14—C40120.63 (15)
C48—Dy2—C40—O13−86.46 (14)N3—Dy2—O14—C40−159.78 (16)
C32—Dy2—C40—O1397.67 (14)C48—Dy2—O14—C40−90.47 (15)
C46—C41—C42—C43−1.0 (4)C32—Dy2—O14—C4097.26 (15)
C47—C41—C42—C43177.5 (2)O17—C48—O16—Dy28.4 (2)
C41—C42—C43—C44−0.7 (4)C47—C48—O16—Dy2−170.62 (19)
C42—C43—C44—O18−178.6 (3)O8—Dy2—O16—C48−113.73 (14)
C42—C43—C44—C451.7 (4)O14—Dy2—O16—C4818.29 (16)
O18—C44—C45—C46179.3 (3)O2W—Dy2—O16—C48165.66 (15)
C43—C44—C45—C46−1.0 (4)O13—Dy2—O16—C48−45.91 (15)
C42—C41—C46—C451.7 (4)O17—Dy2—O16—C48−4.66 (13)
C47—C41—C46—C45−176.8 (2)O10—Dy2—O16—C48−147.30 (13)
C44—C45—C46—C41−0.7 (4)O11—Dy2—O16—C48127.60 (14)
C46—C41—C47—C48107.5 (3)N3—Dy2—O16—C4879.13 (14)
C42—C41—C47—C48−70.9 (3)C40—Dy2—O16—C48−15.57 (16)
C41—C47—C48—O1658.5 (3)C32—Dy2—O16—C48169.39 (13)
C41—C47—C48—O17−120.4 (3)O16—C48—O17—Dy2−8.1 (2)
O8—Dy2—C48—O1664.58 (14)C47—C48—O17—Dy2170.9 (2)
O14—Dy2—C48—O16−165.18 (13)O8—Dy2—O17—C4875.24 (15)
O2W—Dy2—C48—O16−14.13 (14)O14—Dy2—O17—C48−156.84 (15)
O13—Dy2—C48—O16139.89 (13)O2W—Dy2—O17—C48−7.21 (18)
O17—Dy2—C48—O16171.7 (2)O13—Dy2—O17—C48147.37 (16)
O10—Dy2—C48—O1668.4 (2)O16—Dy2—O17—C484.59 (13)
O11—Dy2—C48—O16−88.60 (19)O10—Dy2—O17—C48133.58 (14)
N3—Dy2—C48—O16−93.87 (14)O11—Dy2—O17—C48−121.63 (15)
C40—Dy2—C48—O16167.27 (14)N3—Dy2—O17—C48−78.55 (15)
O8—Dy2—C48—O17−107.13 (15)C40—Dy2—O17—C48175.48 (16)
O14—Dy2—C48—O1723.12 (15)C32—Dy2—O17—C48−164.95 (18)

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
O3—H3B···O12i0.821.932.742 (3)169
O6—H6B···O3Wii0.821.862.644 (3)160
O9—H9A···O17iii0.821.852.670 (3)173
O12—H12A···O11iv0.821.942.748 (2)168
O15—H15C···O6v0.821.902.715 (3)174
O18—H18B···O9ii0.821.952.766 (3)174
O2W—H2WA···O50.84 (4)1.96 (2)2.745 (2)154 (4)
O2W—H2WB···N2ii0.84 (2)2.04 (2)2.834 (3)160 (4)
O3W—H3WB···O30.83 (4)1.99 (2)2.799 (3)163 (4)
O1W—H1WA···O130.82 (4)1.98 (2)2.738 (2)153 (4)
O1W—H1WB···N4i0.84 (2)1.96 (2)2.781 (3)167 (4)
O3W—H3WA···O1vi0.84 (4)1.94 (2)2.775 (3)178 (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: BT5397).

References

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  • Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [PubMed]
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  • Wang, X.-X. & Sevov, S. (2008). Inorg. Chem.47, 1037–1043. [PubMed]

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