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Acta Cryst. (2009). E65, m1559-m1560    [ doi:10.1107/S1600536809046923 ]

Tetraaquatetrakis{[mu]3-3,3'-[(E,E)-ethane-1,2-diylbis(nitrilomethylidyne)]benzene-1,2-diolato}octazinc(II) N,N-dimethylformamide hexasolvate

Q.-J. Xu, L.-R. Lin, D. Sun, R.-B. Huang and L.-S. Zheng

Abstract top

The asymmetric unit of the title compound [Zn8(C16H12N2O4)4(H2O)4]·6C3H7NO, consists of eight ZnII cations, four tetravalent anionic ligands, L4- (L4- = 3,3'-(1E,1'E)-(ethane-1,2-diylbis(azan-1-yl-1-ylidene))bis(methan-1-yl-1-ylidene)dibenzene-1,2-bis(olate), four coordinated water molecules and six N,N-dimethylformamide solvate molecules. The coordination complex comprises an octanuclear ZnII unit with its ZnII centers coordinated in two discrete distorted square-pyramidal geometries. Four ZnII atoms each coordinate to two nitrogen atoms and two phenolate oxygen atoms from an individual L4- ligand and one coordinated water molecule. The other four ZnII atoms each bind to five phenolate oxygen atoms from three different L4- ligands. In the crystal structure, the ZnII complex unit, coordinated water molecules and dimethylformamide solvate molecules are linked via O-H...O and C-H...O hydrogen bonds. Molecules are connected by additional intermolecular O-H...O and C-H...O hydrogen bonds, forming an extensive three dimensional framework.

Comment top

Schiff base metal compounds have attracted great interest due to their significant potential applications in luminescent materials, ion recognition, biological processes and catalysis (Xu et al., 2007; Wu et al., 2006; Cametti et al., 2008; Shi et al., 2009; Dochnahl et al., 2006; Wu et al., 2007; Rai et al., 2009). In particular, the luminescence properties of zinc compounds make them potentially useful as LED materials (Yu et al., 2007; Kaplunov et al., 2008). Herein we report the structure of an octanuclear zincII complex which exhibits strong fluorescence in the solid state.

The X-ray diffraction study shows that ZnII cations are coordinated in two different distorted square-pyramidal geometries viz. ZnN2O3 and ZnO5. Four ZnII cations (Zn5, Zn6, Zn7, Zn8) each coordinate to two N atoms and two O atoms from an L4- which lie in the square plane; the O atom from a coordinated water molecule occupies the vertex position. These Zn—O and Zn—N bond lengths fall within the ranges 1.9821 (17)–2.0468 (18) Å and 2.055 (2)–2.102 (2) Å respectively. The other four inner ZnII cations (Zn1, Zn2, Zn3, Zn4) are coordinated by five O atoms from three different L4- ligands. For these the Zn—O bond lengths range from 1.9556 (17) to 2.1604 (18) Å. Distortion of the square pyramids is indicated by the calculated τ values (Addison et al., 1984), the average of which are 0.4446 and 0.7089 for the ZnN2O3 and ZnO5 square-pyramids respectively (for an ideal square-pyramidal geometry, τ = 0). Flexibility, versatility and high µ-O bridging ability of the ligands are the crucial factors in forming the octanuclear unit (Sanmartín et al., 2000). Bond lengths and angles in I fall in the normal ranges and are comparable with those for related structures (Eltayeb et al., 2008; Chen et al., 2009; Miyamoto et al., 2002).

In the crystal structure intermolecular O—H···O, C—H···O hydrogen bonds among the water molecules, solvent molecules and the Zn(II) complex unit form an extensive three dimensional supramolecular structure.

Related literature top

For applications of Schiff base–metal compounds, see: Xu et al. (2007); Wu et al. (2006); Cametti et al. (2008); Shi et al. (2009); Dochnahl et al. (2006); Wu et al. (2007); Rai et al. (2009). For the luminescence properties of zinc complexes, see: Yu et al. (2007); Kaplunov et al. (2008). For the analysis of 5-coordinate geometries, see: Addison et al. (1984). For Zn and Cd complexes of similar flexible, multidentate Schiff base ligands, see: Sanmartín et al. (2000). For synthesis of the ligand, see: Casellato et al. (1991); Miyamoto et al. (2002). For other related structures, see: Eltayeb et al. (2008); Chen et al. (2009); Miyamoto et al. (2002).

Experimental top

The ligand 3,3'-(1E,1'E)-(ethane-1,2-diylbis(azan-1-yl-1-ylidene)) bis(methan-1-yl-1-ylidene)dibenzene-1,2-diol (L) was prepared according to the literature (Casellato et al., 1991; Miyamoto et al., 2002). The title compound (I) was synthesized by mixing L (0.030 g, 0.1 mmol) with zinc acetate dihydrate(0.047 g, 0.2 mmol) in DMF (15 mL). The solution was refluxed with stirring for 5 h, to yield a clear brown solution which was filtered and allowed to evaporate slowly at room temperature for two weeks to give brown block-shaped crystals of I.

Refinement top

All H atoms were placed in calculated positions and refined using a riding model [C—H(aryl) = 0.93 Å and Uiso(H) = 1.2Ueq(C); C—H(CH3) = 0.96 Å and Uiso(H) = 1.5Ueq(C); and O—H = 0.85 Å and Uiso(H) = 1.2Ueq(O)].

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2008); cell refinement: CrysAlis RED (Oxford Diffraction, 2008); data reduction: CrysAlis RED (Oxford Diffraction, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008) and publCIF (Westrip, 2009).

Figures top
[Figure 1] Fig. 1. Structure of the title compound. with thermal ellipsoids drawn at 30% probability level. Hydrogen atoms are omitted for clarity.
[Figure 2] Fig. 2. A perspective view of the three-dimensional supramolecular framework incorporating C–H···O, O–H···O hydrogen bonds viewed along b axis.
Tetraaquatetrakis{µ3-3,3'-[(E,E)-ethane-1,2- diylbis(nitrilomethylidyne)]benzene-1,2-diolato}octazinc(II) N,N-dimethylformamide hexasolvate top
Crystal data top
[Zn8(C16H12N2O4)4(H2O)4]·6C3H7NOZ = 2
Mr = 2218.69F(000) = 2272
Triclinic, P1Dx = 1.653 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 13.5451 (4) ÅCell parameters from 28634 reflections
b = 14.2114 (4) Åθ = 2.2–29.6°
c = 25.0620 (6) ŵ = 2.20 mm−1
α = 80.599 (2)°T = 298 K
β = 76.519 (2)°Block, brown
γ = 72.734 (2)°0.31 × 0.20 × 0.15 mm
V = 4456.9 (2) Å3
Data collection top
Oxford Diffraction Gemini S Ultra
diffractometer		17430 independent reflections
Radiation source: sealed tube13557 reflections with I > 2σ(I)
graphiteRint = 0.027
Detector resolution: 16.1903 pixels mm-1θmax = 26.0°, θmin = 2.2°
ω scansh = −16→16
Absorption correction: multi-scan
(CrysAlis RED; Oxford Diffraction, 2008)		k = −17→16
Tmin = 0.516, Tmax = 0.719l = −29→30
51671 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.030H-atom parameters constrained
wR(F2) = 0.074 w = 1/[σ2(Fo2) + (0.0409P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max = 0.003
17430 reflectionsΔρmax = 0.62 e Å−3
1184 parametersΔρmin = −0.38 e Å−3
0 restraintsExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00041 (9)
Crystal data top
[Zn8(C16H12N2O4)4(H2O)4]·6C3H7NOγ = 72.734 (2)°
Mr = 2218.69V = 4456.9 (2) Å3
Triclinic, P1Z = 2
a = 13.5451 (4) ÅMo Kα radiation
b = 14.2114 (4) ŵ = 2.20 mm−1
c = 25.0620 (6) ÅT = 298 K
α = 80.599 (2)°0.31 × 0.20 × 0.15 mm
β = 76.519 (2)°
Data collection top
Oxford Diffraction Gemini S Ultra
diffractometer		17430 independent reflections
Absorption correction: multi-scan
(CrysAlis RED; Oxford Diffraction, 2008)		13557 reflections with I > 2σ(I)
Tmin = 0.516, Tmax = 0.719Rint = 0.027
51671 measured reflectionsθmax = 26.0°
Refinement top
R[F2 > 2σ(F2)] = 0.030H-atom parameters constrained
wR(F2) = 0.074Δρmax = 0.62 e Å−3
S = 1.03Δρmin = −0.38 e Å−3
17430 reflectionsAbsolute structure: ?
1184 parametersFlack parameter: ?
0 restraintsRogers parameter: ?
Special details top

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) top
xyzUiso*/Ueq
Zn10.58891 (2)0.10447 (2)0.213483 (13)0.01687 (8)
Zn20.80680 (2)0.19208 (2)0.156595 (13)0.01673 (8)
Zn30.73308 (2)0.34202 (2)0.266806 (13)0.01630 (8)
Zn40.55372 (2)0.20850 (2)0.333987 (13)0.01730 (8)
Zn50.83945 (3)−0.07182 (2)0.184240 (14)0.02050 (8)
Zn60.73152 (3)0.45407 (2)0.127857 (13)0.01912 (8)
Zn70.77824 (3)0.19745 (2)0.392176 (13)0.01933 (8)
Zn80.33798 (2)0.27824 (2)0.262661 (13)0.01999 (8)
C10.2141 (3)0.7241 (3)0.08373 (17)0.0499 (10)
H10.18320.70990.05760.060*
C1C0.8622 (2)0.40167 (19)0.39310 (11)0.0182 (6)
C1B0.9186 (2)0.3732 (2)0.01636 (12)0.0241 (7)
C1D0.3966 (2)0.2325 (2)0.42770 (12)0.0225 (6)
C1A0.6574 (2)−0.1997 (2)0.19311 (12)0.0254 (7)
C20.2501 (5)0.8453 (4)0.1272 (2)0.0987 (19)
H2E0.25910.79310.15680.148*
H2F0.20490.90520.14180.148*
H2G0.31750.85550.10930.148*
C2C0.8892 (2)0.48897 (19)0.39659 (12)0.0218 (6)
H2C0.91730.49290.42640.026*
C2D0.3449 (2)0.2422 (2)0.48217 (12)0.0300 (7)
H2D0.38340.22030.51020.036*
C2B1.0036 (3)0.3434 (2)−0.02721 (13)0.0316 (8)
H2B1.02020.3900−0.05600.038*
C2A0.5831 (3)−0.2559 (2)0.20237 (14)0.0350 (8)
H2A0.6069−0.32410.20110.042*
C30.1452 (4)0.8978 (3)0.0545 (2)0.0874 (17)
H3E0.11260.87160.03240.131*
H3F0.19230.93290.03100.131*
H3G0.09180.94230.07800.131*
C3C0.8748 (2)0.56829 (19)0.35684 (12)0.0229 (6)
H3C0.89210.62550.35990.027*
C3B1.0624 (3)0.2467 (2)−0.02790 (13)0.0353 (8)
H3B1.11930.2280−0.05660.042*
C3D0.2367 (3)0.2839 (3)0.49561 (14)0.0388 (8)
H3D0.20330.29060.53220.047*
C3A0.4780 (3)−0.2119 (2)0.21299 (15)0.0409 (9)
H3A0.4303−0.25000.21970.049*
C41.0482 (2)0.3104 (2)0.13947 (13)0.0301 (7)
H40.98750.28890.15180.036*
C4C0.8339 (2)0.56161 (19)0.31181 (12)0.0215 (6)
H4C0.82540.61460.28450.026*
C4A0.4412 (3)−0.1086 (2)0.21383 (14)0.0359 (8)
H4A0.3691−0.07860.22100.043*
C4B1.0368 (3)0.1767 (2)0.01448 (13)0.0323 (8)
H4B1.07710.11120.01370.039*
C4D0.1802 (3)0.3147 (3)0.45482 (14)0.0375 (8)
H4D0.10800.34370.46390.045*
C51.1462 (3)0.1367 (2)0.13910 (15)0.0404 (9)
H5E1.07670.12730.14980.061*
H5F1.18530.10600.16770.061*
H5G1.18150.10710.10550.061*
C5B0.9529 (2)0.2019 (2)0.05793 (12)0.0232 (6)
C5C0.8055 (2)0.47775 (18)0.30671 (11)0.0161 (6)
C5A0.5113 (2)−0.0506 (2)0.20403 (13)0.0270 (7)
C5D0.2282 (2)0.3038 (2)0.39866 (13)0.0277 (7)
C61.2372 (2)0.2673 (2)0.11138 (14)0.0342 (8)
H6E1.22380.33800.10460.051*
H6F1.27350.23800.07780.051*
H6G1.28010.24300.13890.051*
C6C0.8181 (2)0.39579 (18)0.34848 (11)0.0161 (6)
C6D0.3372 (2)0.2611 (2)0.38467 (12)0.0212 (6)
C6B0.8935 (2)0.30250 (19)0.06029 (11)0.0196 (6)
C6A0.6209 (2)−0.09625 (19)0.19530 (11)0.0203 (6)
C70.8913 (5)0.3594 (7)0.5800 (3)0.135 (3)
H70.91310.41680.56820.162*
C7A0.7665 (2)−0.25372 (19)0.18511 (12)0.0252 (7)
H7A0.7820−0.32180.18420.030*
C7C0.8937 (2)0.3183 (2)0.43252 (12)0.0216 (6)
H7C0.93190.32560.45730.026*
C7B0.8577 (3)0.4759 (2)0.01193 (13)0.0289 (7)
H7B0.87350.5148−0.02080.035*
C7D0.1602 (2)0.3422 (2)0.35913 (13)0.0309 (7)
H7D0.09000.37390.37250.037*
C80.7623 (6)0.2688 (6)0.5940 (3)0.158 (3)
H8E0.82040.21400.60180.237*
H8F0.73370.25440.56560.237*
H8G0.70880.27940.62680.237*
C8A0.9512 (2)−0.2810 (2)0.17584 (14)0.0324 (8)
H81A0.9938−0.26810.14000.039*
H82A0.9514−0.35020.18110.039*
C8D0.1165 (2)0.3862 (2)0.27010 (13)0.0282 (7)
H81D0.05100.42520.29040.034*
H82D0.10070.33810.25240.034*
C8C0.9247 (3)0.1496 (2)0.46949 (13)0.0304 (7)
H81C0.87490.13360.50190.036*
H82C0.98220.16260.48140.036*
C8B0.7198 (3)0.6175 (2)0.04069 (13)0.0345 (8)
H81B0.73360.64240.00210.041*
H82B0.73500.66050.06220.041*
C90.7260 (4)0.4416 (4)0.5526 (2)0.102 (2)
H9E0.76080.49260.53730.152*
H9F0.66690.46630.58110.152*
H9G0.70180.42210.52410.152*
C9B0.6063 (3)0.6139 (2)0.05900 (13)0.0317 (7)
H91B0.55970.68050.06020.038*
H92B0.58780.58090.03330.038*
C9A0.9950 (3)−0.2573 (2)0.22101 (14)0.0350 (8)
H91A0.9651−0.28660.25650.042*
H92A1.0709−0.28460.21460.042*
C9C0.9665 (2)0.0644 (2)0.43302 (13)0.0290 (7)
H91C1.02640.07460.40510.035*
H92C0.98920.00220.45510.035*
C9D0.1704 (2)0.4525 (2)0.22754 (13)0.0281 (7)
H91D0.13280.47590.19730.034*
H92D0.17130.50950.24390.034*
C100.3447 (3)0.0277 (3)0.36853 (16)0.0445 (9)
H100.40720.02060.34260.053*
C10D0.3253 (2)0.42027 (19)0.15933 (12)0.0224 (6)
H10D0.28890.47600.13970.027*
C10C0.8789 (2)−0.0211 (2)0.39456 (12)0.0242 (6)
H10C0.9305−0.07700.40420.029*
C10A1.0164 (2)−0.1142 (2)0.24711 (13)0.0294 (7)
H10A1.0687−0.15910.26370.035*
C10B0.5053 (2)0.57722 (19)0.14589 (12)0.0237 (7)
H10B0.45030.62440.13240.028*
C110.4513 (3)−0.0297 (3)0.43927 (16)0.0503 (10)
H11E0.5082−0.03790.40780.075*
H11F0.4554−0.09180.46170.075*
H11G0.45630.01860.46050.075*
C11A0.9974 (2)−0.0103 (2)0.25361 (12)0.0236 (6)
C11B0.4809 (2)0.53101 (19)0.20115 (12)0.0203 (6)
C11D0.4305 (2)0.37002 (19)0.13263 (12)0.0202 (6)
C11C0.8038 (2)−0.03610 (19)0.36708 (12)0.0213 (6)
C120.2590 (3)0.0200 (3)0.46356 (16)0.0598 (11)
H12E0.19730.04340.44740.090*
H12F0.26050.06860.48560.090*
H12G0.2572−0.04090.48630.090*
C12B0.3796 (2)0.56990 (19)0.23208 (13)0.0255 (7)
H12B0.33210.62170.21580.031*
C12D0.4620 (2)0.4048 (2)0.07742 (12)0.0245 (7)
H12D0.41590.45750.06090.029*
C12A1.0654 (2)0.0127 (2)0.28119 (13)0.0284 (7)
H12A1.1183−0.03810.29410.034*
C12C0.8095 (2)−0.1356 (2)0.36281 (12)0.0257 (7)
H12C0.8605−0.18630.37730.031*
C130.5808 (2)0.4794 (2)0.40493 (15)0.0328 (8)
H130.57920.44470.37690.039*
C13A1.0554 (2)0.1087 (2)0.28957 (13)0.0277 (7)
H13A1.10150.12290.30740.033*
C13C0.7414 (2)−0.1588 (2)0.33772 (12)0.0274 (7)
H13C0.7449−0.22460.33600.033*
C13B0.3494 (2)0.5334 (2)0.28531 (13)0.0263 (7)
H13B0.28290.56130.30550.032*
C13D0.5593 (2)0.3626 (2)0.04734 (13)0.0272 (7)
H13D0.57820.38490.01040.033*
C140.5731 (3)0.6339 (3)0.43535 (15)0.0557 (11)
H14E0.57440.59390.47010.084*
H14F0.51320.69090.43920.084*
H14G0.63660.65510.42390.084*
C14D0.6290 (2)0.2861 (2)0.07284 (12)0.0225 (6)
H14D0.69530.25760.05270.027*
C14B0.4192 (2)0.45412 (19)0.30894 (12)0.0234 (6)
H14B0.39870.42930.34530.028*
C14A0.9749 (2)0.1844 (2)0.27075 (12)0.0233 (6)
H14A0.96770.24940.27620.028*
C14C0.6665 (2)−0.0826 (2)0.31476 (11)0.0227 (6)
H14C0.6191−0.09810.29840.027*
C150.5546 (3)0.6268 (2)0.34034 (14)0.0404 (9)
H15E0.55540.58020.31630.061*
H15F0.61190.65610.32560.061*
H15G0.48910.67760.34320.061*
C15D0.6021 (2)0.25160 (18)0.12719 (11)0.0176 (6)
C15A0.9058 (2)0.16483 (19)0.24431 (12)0.0191 (6)
C15C0.6618 (2)0.01553 (19)0.31594 (11)0.0188 (6)
C15B0.5185 (2)0.41096 (19)0.27982 (11)0.0180 (6)
C16D0.5004 (2)0.29110 (18)0.15854 (11)0.0169 (6)
C16A0.9156 (2)0.06531 (19)0.23497 (11)0.0182 (6)
C16B0.5528 (2)0.45070 (18)0.22506 (11)0.0169 (6)
C16C0.7277 (2)0.04129 (18)0.34439 (11)0.0185 (6)
C170.4503 (3)0.0572 (3)0.08184 (18)0.0706 (13)
H17E0.45880.12280.07770.106*
H17F0.41900.04070.11940.106*
H17G0.40550.05430.05790.106*
C180.5566 (3)−0.1142 (3)0.06355 (16)0.0559 (11)
H18E0.6274−0.14970.04860.084*
H18F0.5105−0.11530.03990.084*
H18G0.5342−0.14500.09960.084*
C190.6415 (3)0.0134 (3)0.06428 (14)0.0427 (9)
H190.63520.07770.07080.051*
O10.2605 (3)0.6555 (2)0.11090 (17)0.0970 (13)
O8W0.30266 (15)0.15555 (14)0.24940 (8)0.0256 (5)
H81W0.27730.12770.28000.031*
H82W0.35840.11570.23390.031*
O1D0.50073 (15)0.19540 (14)0.41391 (8)0.0220 (4)
O1B0.81689 (15)0.32218 (12)0.10517 (7)0.0194 (4)
O1A0.68279 (14)−0.03548 (12)0.19083 (7)0.0186 (4)
O1C0.78585 (14)0.31941 (12)0.34143 (7)0.0180 (4)
O21.03713 (16)0.40089 (15)0.13284 (9)0.0334 (5)
O7W0.64676 (15)0.23407 (14)0.45143 (8)0.0263 (5)
H21W0.63250.29500.45590.032*
H22W0.59550.22290.44170.032*
O2A0.47880 (15)0.04808 (14)0.20358 (9)0.0282 (5)
O2D0.39208 (14)0.24724 (13)0.33367 (8)0.0201 (4)
O2B0.92675 (15)0.13516 (13)0.09903 (8)0.0246 (5)
O2C0.76505 (15)0.47051 (12)0.26465 (8)0.0204 (4)
O3D0.47934 (14)0.25003 (12)0.21030 (7)0.0178 (4)
O6W0.83069 (15)0.50272 (13)0.16033 (8)0.0225 (4)
H61W0.89400.46980.14950.027*
H62W0.81460.49510.19530.027*
O3B0.65072 (14)0.40850 (12)0.20064 (7)0.0181 (4)
O3C0.71186 (14)0.13808 (12)0.34707 (8)0.0181 (4)
O3A0.84752 (14)0.05388 (12)0.20766 (8)0.0184 (4)
O30.9531 (4)0.2817 (5)0.6008 (3)0.202 (3)
O40.2608 (2)0.0592 (2)0.35162 (11)0.0518 (7)
O4D0.66932 (14)0.17732 (12)0.15300 (7)0.0185 (4)
O5W0.88746 (16)−0.03509 (13)0.10237 (8)0.0276 (5)
H51W0.8385−0.03080.08540.033*
H52W0.90220.02010.09780.033*
O4B0.58757 (14)0.33431 (12)0.30257 (7)0.0178 (4)
O4C0.59075 (14)0.09108 (13)0.29267 (8)0.0196 (4)
O4A0.83037 (14)0.23753 (12)0.22337 (8)0.0185 (4)
O50.59684 (18)0.43137 (16)0.44929 (10)0.0377 (6)
O60.7304 (2)−0.04288 (19)0.05325 (10)0.0520 (7)
N10.2031 (2)0.8182 (2)0.08764 (14)0.0470 (8)
N1B0.7843 (2)0.51637 (16)0.04943 (10)0.0261 (6)
N1A0.84363 (19)−0.21777 (16)0.17922 (10)0.0242 (6)
N1C0.87322 (19)0.23543 (17)0.43600 (10)0.0240 (5)
N2B0.5950 (2)0.55929 (16)0.11393 (10)0.0229 (5)
N2A0.96830 (19)−0.14941 (16)0.22094 (11)0.0275 (6)
N2C0.88149 (19)0.06168 (16)0.40698 (10)0.0228 (5)
N21.13880 (19)0.24177 (17)0.13052 (10)0.0254 (6)
N3D0.18858 (18)0.33626 (17)0.30733 (10)0.0250 (6)
N30.7987 (3)0.3572 (4)0.57561 (17)0.0816 (13)
N40.3513 (2)0.0037 (2)0.42079 (12)0.0363 (7)
N4D0.27811 (18)0.39471 (16)0.20743 (10)0.0216 (5)
N50.5657 (2)0.57631 (19)0.39416 (11)0.0329 (6)
N60.5530 (2)−0.0133 (2)0.06739 (12)0.0448 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.01684 (17)0.01506 (15)0.01851 (19)−0.00493 (12)−0.00191 (13)−0.00222 (12)
Zn20.01680 (17)0.01434 (15)0.01752 (19)−0.00437 (13)−0.00026 (13)−0.00150 (12)
Zn30.01629 (17)0.01574 (15)0.01695 (19)−0.00405 (13)−0.00349 (13)−0.00203 (12)
Zn40.01506 (17)0.01794 (15)0.01865 (19)−0.00449 (13)−0.00190 (13)−0.00314 (12)
Zn50.01959 (18)0.01326 (15)0.0263 (2)−0.00348 (13)−0.00193 (14)−0.00097 (13)
Zn60.02454 (19)0.01410 (15)0.01618 (19)−0.00227 (13)−0.00298 (14)−0.00138 (12)
Zn70.02089 (18)0.01696 (16)0.0218 (2)−0.00664 (13)−0.00869 (14)0.00268 (13)
Zn80.01472 (17)0.02301 (17)0.0203 (2)−0.00227 (13)−0.00264 (14)−0.00327 (13)
C10.037 (2)0.047 (2)0.066 (3)−0.0106 (18)−0.016 (2)0.0011 (19)
C1C0.0133 (14)0.0202 (13)0.0208 (17)−0.0032 (11)−0.0024 (12)−0.0049 (11)
C1B0.0337 (18)0.0196 (14)0.0179 (17)−0.0101 (13)0.0001 (13)−0.0008 (11)
C1D0.0219 (16)0.0244 (15)0.0214 (18)−0.0096 (12)−0.0009 (13)−0.0018 (12)
C1A0.0319 (18)0.0202 (14)0.0269 (18)−0.0092 (13)−0.0063 (14)−0.0058 (12)
C20.120 (5)0.066 (3)0.128 (5)−0.033 (3)−0.057 (4)0.003 (3)
C2C0.0179 (15)0.0229 (14)0.0262 (18)−0.0038 (12)−0.0054 (13)−0.0085 (12)
C2D0.0290 (18)0.0436 (18)0.0174 (18)−0.0106 (15)−0.0029 (14)−0.0040 (13)
C2B0.040 (2)0.0266 (16)0.0252 (19)−0.0158 (15)0.0074 (15)−0.0006 (13)
C2A0.041 (2)0.0242 (16)0.045 (2)−0.0138 (15)−0.0103 (17)−0.0077 (14)
C30.067 (3)0.060 (3)0.116 (5)−0.003 (2)−0.035 (3)0.041 (3)
C3C0.0249 (16)0.0162 (13)0.0288 (18)−0.0065 (12)−0.0031 (13)−0.0071 (12)
C3B0.037 (2)0.0340 (17)0.026 (2)−0.0114 (15)0.0153 (15)−0.0071 (14)
C3D0.033 (2)0.060 (2)0.0200 (19)−0.0145 (17)0.0055 (15)−0.0075 (16)
C3A0.042 (2)0.0313 (18)0.059 (3)−0.0214 (16)−0.0106 (18)−0.0107 (16)
C40.0274 (18)0.0356 (18)0.029 (2)−0.0120 (14)−0.0052 (14)−0.0005 (14)
C4C0.0220 (16)0.0178 (13)0.0226 (17)−0.0049 (12)−0.0021 (13)−0.0004 (11)
C4A0.0257 (18)0.0320 (17)0.053 (2)−0.0092 (14)−0.0079 (16)−0.0084 (15)
C4B0.0343 (19)0.0211 (15)0.032 (2)−0.0050 (13)0.0094 (15)−0.0045 (13)
C4D0.0198 (17)0.055 (2)0.030 (2)−0.0030 (15)0.0053 (15)−0.0114 (16)
C50.032 (2)0.0316 (18)0.056 (3)−0.0118 (15)−0.0036 (17)0.0002 (16)
C5B0.0251 (17)0.0206 (14)0.0214 (17)−0.0079 (12)0.0044 (13)−0.0050 (12)
C5C0.0103 (14)0.0185 (13)0.0179 (16)−0.0019 (11)−0.0003 (11)−0.0047 (11)
C5A0.0292 (18)0.0219 (15)0.0337 (19)−0.0092 (13)−0.0048 (14)−0.0114 (13)
C5D0.0200 (16)0.0348 (17)0.0265 (19)−0.0061 (13)−0.0005 (13)−0.0064 (13)
C60.0275 (18)0.0346 (17)0.038 (2)−0.0122 (15)−0.0004 (15)0.0000 (14)
C6C0.0097 (13)0.0161 (13)0.0216 (16)−0.0033 (10)0.0002 (11)−0.0043 (11)
C6D0.0175 (15)0.0260 (15)0.0208 (17)−0.0098 (12)0.0017 (12)−0.0052 (12)
C6B0.0225 (16)0.0189 (13)0.0176 (16)−0.0092 (12)0.0016 (12)−0.0037 (11)
C6A0.0252 (16)0.0188 (13)0.0195 (16)−0.0097 (12)−0.0032 (12)−0.0043 (11)
C70.051 (4)0.236 (9)0.115 (6)−0.004 (5)−0.021 (4)−0.066 (6)
C7A0.0351 (18)0.0125 (13)0.0280 (18)−0.0057 (13)−0.0044 (14)−0.0059 (12)
C7C0.0189 (15)0.0278 (15)0.0198 (17)−0.0059 (12)−0.0069 (12)−0.0035 (12)
C7B0.042 (2)0.0240 (15)0.0207 (18)−0.0146 (14)−0.0006 (15)0.0016 (12)
C7D0.0165 (16)0.0416 (18)0.031 (2)−0.0036 (14)0.0010 (14)−0.0103 (15)
C80.143 (7)0.171 (8)0.156 (8)−0.056 (6)0.042 (6)−0.086 (6)
C8A0.0309 (19)0.0172 (14)0.042 (2)−0.0008 (13)−0.0008 (15)−0.0034 (13)
C8D0.0162 (16)0.0365 (17)0.0294 (19)−0.0021 (13)−0.0042 (13)−0.0059 (14)
C8C0.041 (2)0.0262 (16)0.030 (2)−0.0131 (14)−0.0216 (16)0.0090 (13)
C8B0.054 (2)0.0173 (15)0.0232 (19)−0.0037 (15)−0.0033 (16)0.0047 (12)
C90.071 (4)0.145 (5)0.079 (4)0.014 (4)−0.024 (3)−0.050 (4)
C9B0.042 (2)0.0244 (16)0.0246 (19)−0.0006 (14)−0.0136 (15)0.0031 (13)
C9A0.0322 (19)0.0161 (14)0.051 (2)−0.0008 (13)−0.0101 (16)0.0045 (14)
C9C0.0285 (18)0.0253 (15)0.034 (2)−0.0038 (13)−0.0197 (15)0.0076 (13)
C9D0.0206 (16)0.0250 (15)0.036 (2)0.0030 (12)−0.0080 (14)−0.0093 (13)
C100.036 (2)0.053 (2)0.040 (2)−0.0151 (18)−0.0045 (18)0.0066 (17)
C10D0.0228 (16)0.0161 (13)0.0296 (19)−0.0015 (12)−0.0129 (14)−0.0014 (12)
C10C0.0249 (17)0.0192 (14)0.0242 (18)−0.0020 (12)−0.0054 (13)0.0033 (12)
C10A0.0224 (17)0.0218 (15)0.038 (2)−0.0007 (13)−0.0056 (14)0.0039 (13)
C10B0.0270 (17)0.0161 (13)0.0308 (19)−0.0014 (12)−0.0163 (14)−0.0031 (12)
C110.041 (2)0.060 (2)0.052 (3)−0.0193 (19)−0.0200 (19)0.0124 (19)
C11A0.0196 (16)0.0253 (15)0.0220 (17)−0.0044 (12)−0.0015 (13)0.0024 (12)
C11B0.0209 (16)0.0163 (13)0.0272 (18)−0.0047 (11)−0.0082 (13)−0.0076 (12)
C11D0.0212 (16)0.0179 (13)0.0231 (17)−0.0065 (12)−0.0060 (12)−0.0020 (11)
C11C0.0227 (16)0.0207 (14)0.0174 (16)−0.0053 (12)−0.0009 (12)0.0016 (11)
C120.041 (2)0.086 (3)0.045 (3)−0.020 (2)0.002 (2)0.004 (2)
C12B0.0185 (16)0.0147 (13)0.045 (2)0.0004 (11)−0.0129 (14)−0.0066 (13)
C12D0.0270 (17)0.0241 (15)0.0235 (18)−0.0052 (13)−0.0117 (14)0.0010 (12)
C12A0.0187 (16)0.0304 (16)0.033 (2)−0.0030 (13)−0.0091 (14)0.0032 (13)
C12C0.0325 (18)0.0171 (14)0.0233 (18)−0.0014 (12)−0.0064 (14)0.0017 (12)
C130.0215 (17)0.0371 (18)0.042 (2)−0.0062 (14)−0.0009 (15)−0.0205 (16)
C13A0.0191 (16)0.0348 (17)0.0322 (19)−0.0110 (13)−0.0061 (14)−0.0032 (14)
C13C0.0398 (19)0.0170 (14)0.0246 (18)−0.0087 (13)−0.0038 (14)−0.0019 (12)
C13B0.0186 (16)0.0210 (14)0.038 (2)−0.0027 (12)−0.0006 (14)−0.0116 (13)
C13D0.0332 (19)0.0317 (16)0.0177 (17)−0.0109 (14)−0.0071 (14)0.0017 (12)
C140.085 (3)0.044 (2)0.041 (2)−0.025 (2)0.002 (2)−0.0200 (18)
C14D0.0224 (16)0.0260 (15)0.0192 (17)−0.0074 (12)−0.0019 (13)−0.0036 (12)
C14B0.0237 (16)0.0204 (14)0.0259 (18)−0.0067 (12)0.0001 (13)−0.0076 (12)
C14A0.0194 (16)0.0234 (14)0.0274 (18)−0.0080 (12)−0.0017 (13)−0.0031 (12)
C14C0.0287 (17)0.0230 (14)0.0189 (17)−0.0125 (13)−0.0023 (13)−0.0021 (12)
C150.034 (2)0.0408 (19)0.045 (2)−0.0025 (16)−0.0109 (17)−0.0117 (16)
C15D0.0199 (15)0.0171 (13)0.0169 (16)−0.0061 (11)−0.0044 (12)−0.0014 (11)
C15A0.0112 (14)0.0207 (14)0.0215 (17)−0.0030 (11)0.0014 (12)−0.0008 (11)
C15C0.0181 (15)0.0197 (14)0.0146 (16)−0.0045 (11)0.0025 (12)0.0001 (11)
C15B0.0173 (15)0.0178 (13)0.0203 (17)−0.0050 (11)−0.0035 (12)−0.0054 (11)
C16D0.0190 (15)0.0178 (13)0.0166 (16)−0.0059 (11)−0.0062 (12)−0.0035 (11)
C16A0.0141 (14)0.0225 (14)0.0164 (16)−0.0069 (11)0.0012 (11)−0.0004 (11)
C16B0.0176 (15)0.0136 (12)0.0226 (17)−0.0051 (11)−0.0056 (12)−0.0069 (11)
C16C0.0204 (15)0.0162 (13)0.0159 (16)−0.0065 (11)0.0014 (12)0.0026 (11)
C170.053 (3)0.084 (3)0.049 (3)0.022 (2)−0.012 (2)−0.009 (2)
C180.069 (3)0.057 (2)0.047 (3)−0.021 (2)−0.016 (2)−0.0057 (19)
C190.048 (2)0.040 (2)0.037 (2)−0.0070 (18)−0.0011 (18)−0.0144 (16)
O10.103 (3)0.0353 (16)0.165 (4)−0.0102 (17)−0.084 (3)0.0227 (19)
O8W0.0199 (11)0.0258 (10)0.0300 (13)−0.0074 (9)−0.0011 (9)−0.0033 (9)
O1D0.0172 (11)0.0290 (10)0.0200 (12)−0.0073 (8)−0.0032 (8)−0.0018 (8)
O1B0.0225 (11)0.0149 (9)0.0169 (11)−0.0042 (8)0.0033 (8)−0.0019 (7)
O1A0.0189 (10)0.0165 (9)0.0197 (11)−0.0063 (8)0.0003 (8)−0.0033 (7)
O1C0.0216 (11)0.0155 (9)0.0198 (11)−0.0070 (8)−0.0083 (8)0.0000 (7)
O20.0306 (13)0.0307 (12)0.0384 (14)−0.0079 (10)−0.0061 (10)−0.0040 (10)
O7W0.0264 (12)0.0328 (11)0.0251 (12)−0.0118 (9)−0.0072 (9)−0.0073 (9)
O2A0.0198 (11)0.0222 (10)0.0452 (14)−0.0046 (9)−0.0061 (10)−0.0130 (9)
O2D0.0144 (10)0.0270 (10)0.0177 (11)−0.0042 (8)−0.0011 (8)−0.0047 (8)
O2B0.0249 (11)0.0158 (9)0.0261 (12)−0.0048 (8)0.0080 (9)−0.0022 (8)
O2C0.0282 (11)0.0161 (9)0.0189 (11)−0.0072 (8)−0.0082 (9)0.0001 (8)
O3D0.0179 (10)0.0179 (9)0.0155 (11)−0.0039 (8)−0.0016 (8)−0.0002 (7)
O6W0.0273 (11)0.0196 (10)0.0193 (12)−0.0060 (8)−0.0020 (9)−0.0023 (8)
O3B0.0168 (10)0.0165 (9)0.0183 (11)−0.0004 (8)−0.0033 (8)−0.0021 (7)
O3C0.0197 (10)0.0138 (9)0.0211 (11)−0.0042 (8)−0.0063 (8)−0.0002 (7)
O3A0.0165 (10)0.0158 (9)0.0229 (12)−0.0045 (8)−0.0047 (8)−0.0002 (8)
O30.104 (4)0.224 (7)0.270 (8)0.043 (4)−0.106 (5)−0.061 (6)
O40.0406 (16)0.0706 (18)0.0457 (17)−0.0214 (14)−0.0199 (13)0.0188 (13)
O4D0.0149 (10)0.0179 (9)0.0193 (11)−0.0019 (8)−0.0019 (8)0.0010 (7)
O5W0.0310 (12)0.0202 (10)0.0293 (13)−0.0089 (9)0.0031 (10)−0.0051 (8)
O4B0.0172 (10)0.0161 (9)0.0190 (11)−0.0035 (8)−0.0037 (8)−0.0005 (7)
O4C0.0223 (11)0.0174 (9)0.0187 (11)−0.0046 (8)−0.0040 (8)−0.0021 (8)
O4A0.0173 (10)0.0148 (9)0.0222 (11)−0.0016 (8)−0.0039 (8)−0.0034 (8)
O50.0405 (15)0.0359 (13)0.0365 (16)−0.0113 (11)0.0006 (12)−0.0125 (11)
O60.0431 (17)0.0649 (17)0.0472 (18)−0.0088 (14)−0.0011 (13)−0.0249 (13)
N10.0401 (19)0.0296 (16)0.068 (2)−0.0043 (13)−0.0206 (16)0.0076 (14)
N1B0.0364 (16)0.0187 (12)0.0188 (15)−0.0052 (11)−0.0029 (12)0.0030 (10)
N1A0.0258 (14)0.0132 (11)0.0294 (15)−0.0022 (10)−0.0003 (11)−0.0031 (10)
N1C0.0273 (14)0.0236 (13)0.0240 (15)−0.0087 (11)−0.0124 (11)0.0033 (10)
N2B0.0314 (15)0.0176 (11)0.0189 (14)−0.0017 (10)−0.0106 (11)−0.0006 (9)
N2A0.0238 (14)0.0176 (12)0.0377 (17)−0.0030 (10)−0.0060 (12)0.0017 (11)
N2C0.0254 (14)0.0216 (12)0.0203 (14)−0.0045 (10)−0.0089 (11)0.0044 (10)
N20.0214 (14)0.0257 (13)0.0288 (16)−0.0089 (11)−0.0018 (11)−0.0022 (10)
N3D0.0171 (13)0.0308 (13)0.0262 (16)−0.0040 (11)−0.0040 (11)−0.0058 (11)
N30.047 (3)0.127 (4)0.063 (3)0.000 (3)−0.003 (2)−0.043 (3)
N40.0301 (16)0.0447 (16)0.0319 (18)−0.0144 (13)−0.0062 (13)0.0107 (13)
N4D0.0153 (13)0.0216 (12)0.0271 (16)−0.0025 (10)−0.0035 (11)−0.0055 (10)
N50.0306 (16)0.0328 (15)0.0346 (18)−0.0089 (12)0.0034 (13)−0.0150 (12)
N60.0412 (19)0.0437 (17)0.042 (2)0.0008 (14)−0.0090 (15)−0.0052 (14)
Geometric parameters (Å, °) top
Zn1—O4C1.9679 (19)C8A—H81A0.9700
Zn1—O2A1.9686 (18)C8A—H82A0.9700
Zn1—O4D1.9857 (18)C8D—N3D1.458 (4)
Zn1—O1A2.1037 (17)C8D—C9D1.508 (4)
Zn1—O3D2.1604 (18)C8D—H81D0.9700
Zn2—O4D1.9586 (18)C8D—H82D0.9700
Zn2—O2B1.9707 (19)C8C—N1C1.453 (4)
Zn2—O4A2.0111 (18)C8C—C9C1.528 (4)
Zn2—O1B2.0945 (17)C8C—H81C0.9700
Zn2—O3A2.1599 (18)C8C—H82C0.9700
Zn3—O4A1.9556 (17)C8B—N1B1.455 (4)
Zn3—O2C1.9877 (17)C8B—C9B1.513 (4)
Zn3—O4B1.9930 (18)C8B—H81B0.9700
Zn3—O1C2.0982 (18)C8B—H82B0.9700
Zn3—O3B2.1476 (18)C9—N31.442 (6)
Zn4—O1D1.9618 (19)C9—H9E0.9600
Zn4—O4B1.9712 (17)C9—H9F0.9600
Zn4—O4C1.9832 (17)C9—H9G0.9600
Zn4—O2D2.0947 (18)C9B—N2B1.464 (4)
Zn4—O3C2.1553 (18)C9B—H91B0.9700
Zn5—O1A2.0026 (18)C9B—H92B0.9700
Zn5—O3A2.0090 (17)C9A—N2A1.467 (3)
Zn5—O5W2.033 (2)C9A—H91A0.9700
Zn5—N1A2.082 (2)C9A—H92A0.9700
Zn5—N2A2.094 (2)C9C—N2C1.462 (3)
Zn6—O1B1.9821 (17)C9C—H91C0.9700
Zn6—O3B2.0121 (18)C9C—H92C0.9700
Zn6—O6W2.0468 (18)C9D—N4D1.463 (3)
Zn6—N2B2.066 (2)C9D—H91D0.9700
Zn6—N1B2.076 (2)C9D—H92D0.9700
Zn7—O1C1.9892 (17)C10—O41.238 (4)
Zn7—O3C2.0084 (17)C10—N41.315 (4)
Zn7—O7W2.029 (2)C10—H100.9300
Zn7—N2C2.055 (2)C10D—N4D1.276 (4)
Zn7—N1C2.102 (2)C10D—C11D1.448 (4)
Zn8—O2D2.0145 (19)C10D—H10D0.9300
Zn8—O3D2.0233 (18)C10C—N2C1.278 (3)
Zn8—O8W2.0341 (18)C10C—C11C1.434 (4)
Zn8—N3D2.070 (2)C10C—H10C0.9300
Zn8—N4D2.072 (2)C10A—N2A1.266 (4)
C1—O11.195 (4)C10A—C11A1.451 (4)
C1—N11.319 (4)C10A—H10A0.9300
C1—H10.9300C10B—N2B1.270 (4)
C1C—C6C1.409 (4)C10B—C11B1.441 (4)
C1C—C2C1.414 (3)C10B—H10B0.9300
C1C—C7C1.441 (4)C11—N41.454 (4)
C1B—C2B1.404 (4)C11—H11E0.9600
C1B—C6B1.416 (4)C11—H11F0.9600
C1B—C7B1.448 (4)C11—H11G0.9600
C1D—O1D1.334 (3)C11A—C16A1.404 (4)
C1D—C2D1.389 (4)C11A—C12A1.408 (4)
C1D—C6D1.429 (4)C11B—C12B1.408 (4)
C1A—C6A1.411 (4)C11B—C16B1.414 (4)
C1A—C2A1.419 (4)C11D—C12D1.402 (4)
C1A—C7A1.433 (4)C11D—C16D1.412 (4)
C2—N11.450 (6)C11C—C16C1.411 (4)
C2—H2E0.9600C11C—C12C1.414 (4)
C2—H2F0.9600C12—N41.432 (4)
C2—H2G0.9600C12—H12E0.9600
C2C—C3C1.376 (4)C12—H12F0.9600
C2C—H2C0.9300C12—H12G0.9600
C2D—C3D1.390 (4)C12B—C13B1.364 (4)
C2D—H2D0.9300C12B—H12B0.9300
C2B—C3B1.370 (4)C12D—C13D1.371 (4)
C2B—H2B0.9300C12D—H12D0.9300
C2A—C3A1.356 (5)C12A—C13A1.376 (4)
C2A—H2A0.9300C12A—H12A0.9300
C3—N11.434 (5)C12C—C13C1.369 (4)
C3—H3E0.9600C12C—H12C0.9300
C3—H3F0.9600C13—O51.235 (4)
C3—H3G0.9600C13—N51.322 (4)
C3C—C4C1.396 (4)C13—H130.9300
C3C—H3C0.9300C13A—C14A1.395 (4)
C3B—C4B1.388 (4)C13A—H13A0.9300
C3B—H3B0.9300C13C—C14C1.395 (4)
C3D—C4D1.357 (5)C13C—H13C0.9300
C3D—H3D0.9300C13B—C14B1.387 (4)
C3A—C4A1.405 (4)C13B—H13B0.9300
C3A—H3A0.9300C13D—C14D1.389 (4)
C4—O21.237 (3)C13D—H13D0.9300
C4—N21.319 (4)C14—N51.456 (4)
C4—H40.9300C14—H14E0.9600
C4C—C5C1.389 (3)C14—H14F0.9600
C4C—H4C0.9300C14—H14G0.9600
C4A—C5A1.390 (4)C14D—C15D1.373 (4)
C4A—H4A0.9300C14D—H14D0.9300
C4B—C5B1.384 (4)C14B—C15B1.385 (4)
C4B—H4B0.9300C14B—H14B0.9300
C4D—C5D1.419 (4)C14A—C15A1.376 (4)
C4D—H4D0.9300C14A—H14A0.9300
C5—N21.450 (4)C14C—C15C1.382 (4)
C5—H5E0.9600C14C—H14C0.9300
C5—H5F0.9600C15—N51.439 (4)
C5—H5G0.9600C15—H15E0.9600
C5B—O2B1.340 (3)C15—H15F0.9600
C5B—C6B1.420 (4)C15—H15G0.9600
C5C—O2C1.326 (3)C15D—O4D1.358 (3)
C5C—C6C1.431 (4)C15D—C16D1.417 (4)
C5A—O2A1.338 (3)C15A—O4A1.354 (3)
C5A—C6A1.412 (4)C15A—C16A1.433 (4)
C5D—C6D1.403 (4)C15C—O4C1.365 (3)
C5D—C7D1.442 (4)C15C—C16C1.419 (4)
C6—N21.440 (4)C15B—O4B1.352 (3)
C6—H6E0.9600C15B—C16B1.423 (4)
C6—H6F0.9600C16D—O3D1.336 (3)
C6—H6G0.9600C16A—O3A1.329 (3)
C6C—O1C1.334 (3)C16B—O3B1.327 (3)
C6D—O2D1.333 (3)C16C—O3C1.338 (3)
C6B—O1B1.344 (3)C17—N61.458 (5)
C6A—O1A1.348 (3)C17—H17E0.9600
C7—O31.288 (9)C17—H17F0.9600
C7—N31.294 (7)C17—H17G0.9600
C7—H70.9300C18—N61.439 (4)
C7A—N1A1.263 (4)C18—H18E0.9600
C7A—H7A0.9300C18—H18F0.9600
C7C—N1C1.274 (3)C18—H18G0.9600
C7C—H7C0.9300C19—O61.230 (4)
C7B—N1B1.267 (4)C19—N61.343 (4)
C7B—H7B0.9300C19—H190.9300
C7D—N3D1.275 (4)O8W—H81W0.8500
C7D—H7D0.9300O8W—H82W0.8500
C8—N31.453 (7)O7W—H21W0.8500
C8—H8E0.9600O7W—H22W0.8500
C8—H8F0.9600O6W—H61W0.8499
C8—H8G0.9600O6W—H62W0.8500
C8A—N1A1.458 (4)O5W—H51W0.8500
C8A—C9A1.518 (4)O5W—H52W0.8499
O4C—Zn1—O2A108.71 (8)N2A—C9A—H91A109.9
O4C—Zn1—O4D127.05 (7)C8A—C9A—H91A109.9
O2A—Zn1—O4D123.80 (8)N2A—C9A—H92A109.9
O4C—Zn1—O1A101.78 (7)C8A—C9A—H92A109.9
O2A—Zn1—O1A80.34 (7)H91A—C9A—H92A108.3
O4D—Zn1—O1A93.61 (7)N2C—C9C—C8C108.1 (2)
O4C—Zn1—O3D96.81 (7)N2C—C9C—H91C110.1
O2A—Zn1—O3D89.28 (7)C8C—C9C—H91C110.1
O4D—Zn1—O3D78.74 (7)N2C—C9C—H92C110.1
O1A—Zn1—O3D160.82 (7)C8C—C9C—H92C110.1
O4D—Zn2—O2B116.57 (8)H91C—C9C—H92C108.4
O4D—Zn2—O4A121.50 (7)N4D—C9D—C8D107.8 (2)
O2B—Zn2—O4A120.81 (8)N4D—C9D—H91D110.1
O4D—Zn2—O1B103.87 (7)C8D—C9D—H91D110.1
O2B—Zn2—O1B81.01 (7)N4D—C9D—H92D110.1
O4A—Zn2—O1B95.32 (7)C8D—C9D—H92D110.1
O4D—Zn2—O3A93.54 (7)H91D—C9D—H92D108.5
O2B—Zn2—O3A87.95 (7)O4—C10—N4124.4 (3)
O4A—Zn2—O3A78.34 (7)O4—C10—H10117.8
O1B—Zn2—O3A162.20 (7)N4—C10—H10117.8
O4A—Zn3—O2C120.90 (7)N4D—C10D—C11D125.6 (3)
O4A—Zn3—O4B120.99 (7)N4D—C10D—H10D117.2
O2C—Zn3—O4B117.04 (7)C11D—C10D—H10D117.2
O4A—Zn3—O1C104.98 (7)N2C—C10C—C11C126.2 (3)
O2C—Zn3—O1C80.22 (7)N2C—C10C—H10C116.9
O4B—Zn3—O1C94.43 (7)C11C—C10C—H10C116.9
O4A—Zn3—O3B92.71 (7)N2A—C10A—C11A126.0 (3)
O2C—Zn3—O3B87.42 (7)N2A—C10A—H10A117.0
O4B—Zn3—O3B79.38 (7)C11A—C10A—H10A117.0
O1C—Zn3—O3B161.88 (7)N2B—C10B—C11B125.9 (3)
O1D—Zn4—O4B115.92 (7)N2B—C10B—H10B117.1
O1D—Zn4—O4C119.28 (8)C11B—C10B—H10B117.1
O4B—Zn4—O4C124.06 (8)N4—C11—H11E109.5
O1D—Zn4—O2D81.38 (7)N4—C11—H11F109.5
O4B—Zn4—O2D100.78 (7)H11E—C11—H11F109.5
O4C—Zn4—O2D95.61 (7)N4—C11—H11G109.5
O1D—Zn4—O3C89.89 (8)H11E—C11—H11G109.5
O4B—Zn4—O3C92.67 (7)H11F—C11—H11G109.5
O4C—Zn4—O3C79.27 (7)C16A—C11A—C12A119.9 (3)
O2D—Zn4—O3C166.16 (7)C16A—C11A—C10A123.7 (3)
O1A—Zn5—O3A97.27 (7)C12A—C11A—C10A116.3 (3)
O1A—Zn5—O5W101.29 (8)C12B—C11B—C16B119.6 (3)
O3A—Zn5—O5W94.93 (7)C12B—C11B—C10B116.8 (3)
O1A—Zn5—N1A88.62 (8)C16B—C11B—C10B123.5 (3)
O3A—Zn5—N1A165.08 (9)C12D—C11D—C16D119.9 (3)
O5W—Zn5—N1A97.34 (8)C12D—C11D—C10D115.7 (3)
O1A—Zn5—N2A146.57 (9)C16D—C11D—C10D124.4 (3)
O3A—Zn5—N2A88.97 (8)C16C—C11C—C12C119.7 (3)
O5W—Zn5—N2A110.88 (9)C16C—C11C—C10C124.1 (2)
N1A—Zn5—N2A78.76 (9)C12C—C11C—C10C116.1 (3)
O1B—Zn6—O3B98.12 (7)N4—C12—H12E109.5
O1B—Zn6—O6W104.09 (8)N4—C12—H12F109.5
O3B—Zn6—O6W96.03 (7)H12E—C12—H12F109.5
O1B—Zn6—N2B138.82 (8)N4—C12—H12G109.5
O3B—Zn6—N2B88.98 (9)H12E—C12—H12G109.5
O6W—Zn6—N2B115.48 (8)H12F—C12—H12G109.5
O1B—Zn6—N1B88.81 (8)C13B—C12B—C11B121.6 (3)
O3B—Zn6—N1B168.17 (9)C13B—C12B—H12B119.2
O6W—Zn6—N1B91.52 (9)C11B—C12B—H12B119.2
N2B—Zn6—N1B79.55 (10)C13D—C12D—C11D121.4 (3)
O1C—Zn7—O3C97.35 (7)C13D—C12D—H12D119.3
O1C—Zn7—O7W107.21 (8)C11D—C12D—H12D119.3
O3C—Zn7—O7W94.96 (7)C13A—C12A—C11A121.6 (3)
O1C—Zn7—N2C135.42 (9)C13A—C12A—H12A119.2
O3C—Zn7—N2C90.35 (8)C11A—C12A—H12A119.2
O7W—Zn7—N2C115.80 (9)C13C—C12C—C11C121.2 (3)
O1C—Zn7—N1C87.35 (8)C13C—C12C—H12C119.4
O3C—Zn7—N1C168.75 (8)C11C—C12C—H12C119.4
O7W—Zn7—N1C93.39 (9)O5—C13—N5125.2 (3)
N2C—Zn7—N1C79.22 (9)O5—C13—H13117.4
O2D—Zn8—O3D97.69 (7)N5—C13—H13117.4
O2D—Zn8—O8W107.45 (8)C12A—C13A—C14A118.8 (3)
O3D—Zn8—O8W94.48 (7)C12A—C13A—H13A120.6
O2D—Zn8—N3D88.62 (9)C14A—C13A—H13A120.6
O3D—Zn8—N3D168.03 (8)C12C—C13C—C14C119.3 (3)
O8W—Zn8—N3D93.31 (8)C12C—C13C—H13C120.4
O2D—Zn8—N4D142.54 (8)C14C—C13C—H13C120.4
O3D—Zn8—N4D89.95 (8)C12B—C13B—C14B119.1 (3)
O8W—Zn8—N4D108.43 (8)C12B—C13B—H13B120.4
N3D—Zn8—N4D78.95 (9)C14B—C13B—H13B120.4
O1—C1—N1125.4 (4)C12D—C13D—C14D119.0 (3)
O1—C1—H1117.3C12D—C13D—H13D120.5
N1—C1—H1117.3C14D—C13D—H13D120.5
C6C—C1C—C2C119.6 (2)N5—C14—H14E109.5
C6C—C1C—C7C123.1 (2)N5—C14—H14F109.5
C2C—C1C—C7C116.9 (2)H14E—C14—H14F109.5
C2B—C1B—C6B119.7 (3)N5—C14—H14G109.5
C2B—C1B—C7B116.8 (3)H14E—C14—H14G109.5
C6B—C1B—C7B123.5 (3)H14F—C14—H14G109.5
O1D—C1D—C2D122.1 (3)C15D—C14D—C13D121.3 (3)
O1D—C1D—C6D118.2 (2)C15D—C14D—H14D119.3
C2D—C1D—C6D119.7 (3)C13D—C14D—H14D119.3
C6A—C1A—C2A119.2 (3)C15B—C14B—C13B121.6 (3)
C6A—C1A—C7A123.9 (3)C15B—C14B—H14B119.2
C2A—C1A—C7A116.8 (3)C13B—C14B—H14B119.2
N1—C2—H2E109.5C15A—C14A—C13A121.4 (3)
N1—C2—H2F109.5C15A—C14A—H14A119.3
H2E—C2—H2F109.5C13A—C14A—H14A119.3
N1—C2—H2G109.5C15C—C14C—C13C121.0 (3)
H2E—C2—H2G109.5C15C—C14C—H14C119.5
H2F—C2—H2G109.5C13C—C14C—H14C119.5
C3C—C2C—C1C121.5 (3)N5—C15—H15E109.5
C3C—C2C—H2C119.3N5—C15—H15F109.5
C1C—C2C—H2C119.3H15E—C15—H15F109.5
C1D—C2D—C3D121.3 (3)N5—C15—H15G109.5
C1D—C2D—H2D119.4H15E—C15—H15G109.5
C3D—C2D—H2D119.4H15F—C15—H15G109.5
C3B—C2B—C1B120.9 (3)O4D—C15D—C14D122.3 (2)
C3B—C2B—H2B119.6O4D—C15D—C16D117.0 (2)
C1B—C2B—H2B119.6C14D—C15D—C16D120.8 (3)
C3A—C2A—C1A121.1 (3)O4A—C15A—C14A122.4 (2)
C3A—C2A—H2A119.4O4A—C15A—C16A117.1 (2)
C1A—C2A—H2A119.4C14A—C15A—C16A120.4 (3)
N1—C3—H3E109.5O4C—C15C—C14C121.9 (2)
N1—C3—H3F109.5O4C—C15C—C16C117.4 (2)
H3E—C3—H3F109.5C14C—C15C—C16C120.5 (3)
N1—C3—H3G109.5O4B—C15B—C14B122.2 (3)
H3E—C3—H3G109.5O4B—C15B—C16B117.8 (2)
H3F—C3—H3G109.5C14B—C15B—C16B119.9 (3)
C2C—C3C—C4C119.1 (2)O3D—C16D—C11D125.7 (2)
C2C—C3C—H3C120.5O3D—C16D—C15D116.7 (2)
C4C—C3C—H3C120.5C11D—C16D—C15D117.6 (3)
C2B—C3B—C4B119.7 (3)O3A—C16A—C11A125.9 (2)
C2B—C3B—H3B120.2O3A—C16A—C15A116.2 (2)
C4B—C3B—H3B120.2C11A—C16A—C15A117.8 (2)
C4D—C3D—C2D119.4 (3)O3B—C16B—C11B125.4 (3)
C4D—C3D—H3D120.3O3B—C16B—C15B116.6 (2)
C2D—C3D—H3D120.3C11B—C16B—C15B118.0 (2)
C2A—C3A—C4A119.9 (3)O3C—C16C—C11C125.7 (2)
C2A—C3A—H3A120.1O3C—C16C—C15C116.4 (2)
C4A—C3A—H3A120.1C11C—C16C—C15C117.9 (2)
O2—C4—N2125.6 (3)N6—C17—H17E109.5
O2—C4—H4117.2N6—C17—H17F109.5
N2—C4—H4117.2H17E—C17—H17F109.5
C5C—C4C—C3C121.6 (3)N6—C17—H17G109.5
C5C—C4C—H4C119.2H17E—C17—H17G109.5
C3C—C4C—H4C119.2H17F—C17—H17G109.5
C5A—C4A—C3A120.8 (3)N6—C18—H18E109.5
C5A—C4A—H4A119.6N6—C18—H18F109.5
C3A—C4A—H4A119.6H18E—C18—H18F109.5
C5B—C4B—C3B121.7 (3)N6—C18—H18G109.5
C5B—C4B—H4B119.1H18E—C18—H18G109.5
C3B—C4B—H4B119.1H18F—C18—H18G109.5
C3D—C4D—C5D121.8 (3)O6—C19—N6123.3 (3)
C3D—C4D—H4D119.1O6—C19—H19118.4
C5D—C4D—H4D119.1N6—C19—H19118.4
N2—C5—H5E109.5Zn8—O8W—H81W109.6
N2—C5—H5F109.5Zn8—O8W—H82W109.3
H5E—C5—H5F109.5H81W—O8W—H82W109.8
N2—C5—H5G109.5C1D—O1D—Zn4112.90 (17)
H5E—C5—H5G109.5C6B—O1B—Zn6127.45 (15)
H5F—C5—H5G109.5C6B—O1B—Zn2110.90 (15)
O2B—C5B—C4B122.5 (3)Zn6—O1B—Zn2121.33 (9)
O2B—C5B—C6B118.2 (2)C6A—O1A—Zn5128.11 (17)
C4B—C5B—C6B119.3 (3)C6A—O1A—Zn1109.46 (16)
O2C—C5C—C4C122.6 (2)Zn5—O1A—Zn1120.59 (8)
O2C—C5C—C6C117.8 (2)C6C—O1C—Zn7128.69 (16)
C4C—C5C—C6C119.6 (2)C6C—O1C—Zn3111.46 (15)
O2A—C5A—C4A122.2 (3)Zn7—O1C—Zn3119.81 (8)
O2A—C5A—C6A118.1 (2)Zn7—O7W—H21W109.6
C4A—C5A—C6A119.7 (3)Zn7—O7W—H22W109.3
C6D—C5D—C4D119.3 (3)H21W—O7W—H22W109.8
C6D—C5D—C7D124.2 (3)C5A—O2A—Zn1112.43 (18)
C4D—C5D—C7D116.4 (3)C6D—O2D—Zn8128.15 (17)
N2—C6—H6E109.5C6D—O2D—Zn4109.64 (16)
N2—C6—H6F109.5Zn8—O2D—Zn4121.49 (9)
H6E—C6—H6F109.5C5B—O2B—Zn2113.89 (16)
N2—C6—H6G109.5C5C—O2C—Zn3114.44 (16)
H6E—C6—H6G109.5C16D—O3D—Zn8126.48 (16)
H6F—C6—H6G109.5C16D—O3D—Zn1106.15 (15)
O1C—C6C—C1C125.5 (2)Zn8—O3D—Zn1120.73 (8)
O1C—C6C—C5C115.9 (2)Zn6—O6W—H61W109.6
C1C—C6C—C5C118.6 (2)Zn6—O6W—H62W109.3
O2D—C6D—C5D125.3 (3)H61W—O6W—H62W109.8
O2D—C6D—C1D116.2 (2)C16B—O3B—Zn6127.70 (17)
C5D—C6D—C1D118.4 (3)C16B—O3B—Zn3105.16 (16)
O1B—C6B—C1B125.4 (2)Zn6—O3B—Zn3119.12 (9)
O1B—C6B—C5B115.9 (2)C16C—O3C—Zn7125.95 (17)
C1B—C6B—C5B118.7 (3)C16C—O3C—Zn4106.01 (15)
O1A—C6A—C1A125.1 (3)Zn7—O3C—Zn4120.79 (8)
O1A—C6A—C5A115.7 (2)C16A—O3A—Zn5128.08 (16)
C1A—C6A—C5A119.2 (2)C16A—O3A—Zn2104.78 (14)
O3—C7—N3119.7 (9)Zn5—O3A—Zn2120.08 (9)
O3—C7—H7120.1C15D—O4D—Zn2119.59 (15)
N3—C7—H7120.1C15D—O4D—Zn1110.17 (15)
N1A—C7A—C1A126.2 (2)Zn2—O4D—Zn1122.28 (9)
N1A—C7A—H7A116.9Zn5—O5W—H51W109.5
C1A—C7A—H7A116.9Zn5—O5W—H52W109.4
N1C—C7C—C1C124.9 (3)H51W—O5W—H52W109.8
N1C—C7C—H7C117.6C15B—O4B—Zn4122.26 (15)
C1C—C7C—H7C117.6C15B—O4B—Zn3108.25 (15)
N1B—C7B—C1B124.7 (3)Zn4—O4B—Zn3122.88 (9)
N1B—C7B—H7B117.7C15C—O4C—Zn1121.56 (16)
C1B—C7B—H7B117.7C15C—O4C—Zn4109.25 (16)
N3D—C7D—C5D125.2 (3)Zn1—O4C—Zn4121.66 (9)
N3D—C7D—H7D117.4C15A—O4A—Zn3122.26 (17)
C5D—C7D—H7D117.4C15A—O4A—Zn2108.10 (15)
N3—C8—H8E109.5Zn3—O4A—Zn2126.44 (9)
N3—C8—H8F109.5C1—N1—C3123.2 (4)
H8E—C8—H8F109.5C1—N1—C2120.0 (3)
N3—C8—H8G109.5C3—N1—C2116.8 (4)
H8E—C8—H8G109.5C7B—N1B—C8B122.0 (3)
H8F—C8—H8G109.5C7B—N1B—Zn6128.1 (2)
N1A—C8A—C9A107.2 (2)C8B—N1B—Zn6109.83 (19)
N1A—C8A—H81A110.3C7A—N1A—C8A121.5 (2)
C9A—C8A—H81A110.3C7A—N1A—Zn5127.8 (2)
N1A—C8A—H82A110.3C8A—N1A—Zn5110.20 (17)
C9A—C8A—H82A110.3C7C—N1C—C8C121.0 (2)
H81A—C8A—H82A108.5C7C—N1C—Zn7127.8 (2)
N3D—C8D—C9D107.2 (2)C8C—N1C—Zn7110.97 (17)
N3D—C8D—H81D110.3C10B—N2B—C9B118.8 (3)
C9D—C8D—H81D110.3C10B—N2B—Zn6127.7 (2)
N3D—C8D—H82D110.3C9B—N2B—Zn6113.38 (19)
C9D—C8D—H82D110.3C10A—N2A—C9A118.3 (3)
H81D—C8D—H82D108.5C10A—N2A—Zn5127.1 (2)
N1C—C8C—C9C106.4 (2)C9A—N2A—Zn5114.19 (19)
N1C—C8C—H81C110.5C10C—N2C—C9C119.1 (2)
C9C—C8C—H81C110.5C10C—N2C—Zn7126.4 (2)
N1C—C8C—H82C110.5C9C—N2C—Zn7114.42 (17)
C9C—C8C—H82C110.5C4—N2—C6121.5 (2)
H81C—C8C—H82C108.6C4—N2—C5122.8 (2)
N1B—C8B—C9B106.4 (2)C6—N2—C5115.7 (2)
N1B—C8B—H81B110.5C7D—N3D—C8D120.9 (3)
C9B—C8B—H81B110.5C7D—N3D—Zn8128.3 (2)
N1B—C8B—H82B110.5C8D—N3D—Zn8110.20 (19)
C9B—C8B—H82B110.5C7—N3—C9122.5 (6)
H81B—C8B—H82B108.6C7—N3—C8121.3 (7)
N3—C9—H9E109.5C9—N3—C8116.2 (5)
N3—C9—H9F109.5C10—N4—C12121.2 (3)
H9E—C9—H9F109.5C10—N4—C11122.8 (3)
N3—C9—H9G109.5C12—N4—C11115.6 (3)
H9E—C9—H9G109.5C10D—N4D—C9D118.5 (2)
H9F—C9—H9G109.5C10D—N4D—Zn8127.0 (2)
N2B—C9B—C8B108.0 (3)C9D—N4D—Zn8114.52 (18)
N2B—C9B—H91B110.1C13—N5—C15122.3 (3)
C8B—C9B—H91B110.1C13—N5—C14119.9 (3)
N2B—C9B—H92B110.1C15—N5—C14117.4 (3)
C8B—C9B—H92B110.1C19—N6—C18121.2 (3)
H91B—C9B—H92B108.4C19—N6—C17120.0 (3)
N2A—C9A—C8A108.9 (2)C18—N6—C17118.3 (3)
C6C—C1C—C2C—C3C−1.0 (4)O4C—Zn1—O3D—Zn8−53.03 (10)
C7C—C1C—C2C—C3C171.6 (3)O2A—Zn1—O3D—Zn855.73 (11)
O1D—C1D—C2D—C3D178.0 (3)O4D—Zn1—O3D—Zn8−179.54 (11)
C6D—C1D—C2D—C3D−3.3 (4)O1A—Zn1—O3D—Zn8112.61 (19)
C6B—C1B—C2B—C3B0.2 (5)C11B—C16B—O3B—Zn68.0 (3)
C7B—C1B—C2B—C3B−176.7 (3)C15B—C16B—O3B—Zn6−172.14 (15)
C6A—C1A—C2A—C3A0.3 (5)C11B—C16B—O3B—Zn3155.8 (2)
C7A—C1A—C2A—C3A176.8 (3)C15B—C16B—O3B—Zn3−24.3 (2)
C1C—C2C—C3C—C4C−0.8 (4)O1B—Zn6—O3B—C16B−147.45 (19)
C1B—C2B—C3B—C4B1.1 (5)O6W—Zn6—O3B—C16B107.34 (19)
C1D—C2D—C3D—C4D0.8 (5)N2B—Zn6—O3B—C16B−8.17 (19)
C1A—C2A—C3A—C4A1.3 (5)N1B—Zn6—O3B—C16B−22.1 (5)
C2C—C3C—C4C—C5C1.3 (4)O1B—Zn6—O3B—Zn368.57 (10)
C2A—C3A—C4A—C5A−0.2 (5)O6W—Zn6—O3B—Zn3−36.63 (10)
C2B—C3B—C4B—C5B−0.1 (5)N2B—Zn6—O3B—Zn3−152.15 (10)
C2D—C3D—C4D—C5D1.3 (5)N1B—Zn6—O3B—Zn3−166.0 (3)
C3B—C4B—C5B—O2B179.6 (3)O4A—Zn3—O3B—C16B150.77 (14)
C3B—C4B—C5B—C6B−2.1 (5)O2C—Zn3—O3B—C16B−88.40 (15)
C3C—C4C—C5C—O2C179.0 (3)O4B—Zn3—O3B—C16B29.73 (14)
C3C—C4C—C5C—C6C0.1 (4)O1C—Zn3—O3B—C16B−41.6 (3)
C3A—C4A—C5A—O2A178.8 (3)O4A—Zn3—O3B—Zn6−58.05 (9)
C3A—C4A—C5A—C6A−2.5 (5)O2C—Zn3—O3B—Zn662.78 (10)
C3D—C4D—C5D—C6D−0.8 (5)O4B—Zn3—O3B—Zn6−179.09 (10)
C3D—C4D—C5D—C7D−178.2 (3)O1C—Zn3—O3B—Zn6109.6 (2)
C2C—C1C—C6C—O1C−177.5 (2)C11C—C16C—O3C—Zn7−8.6 (4)
C7C—C1C—C6C—O1C10.4 (4)C15C—C16C—O3C—Zn7171.60 (17)
C2C—C1C—C6C—C5C2.3 (4)C11C—C16C—O3C—Zn4−158.6 (2)
C7C—C1C—C6C—C5C−169.9 (3)C15C—C16C—O3C—Zn421.6 (3)
O2C—C5C—C6C—O1C−1.1 (3)O1C—Zn7—O3C—C16C147.7 (2)
C4C—C5C—C6C—O1C177.9 (2)O7W—Zn7—O3C—C16C−104.2 (2)
O2C—C5C—C6C—C1C179.2 (2)N2C—Zn7—O3C—C16C11.7 (2)
C4C—C5C—C6C—C1C−1.8 (4)N1C—Zn7—O3C—C16C33.6 (5)
C4D—C5D—C6D—O2D−179.5 (3)O1C—Zn7—O3C—Zn4−66.33 (10)
C7D—C5D—C6D—O2D−2.4 (4)O7W—Zn7—O3C—Zn441.77 (11)
C4D—C5D—C6D—C1D−1.6 (4)N2C—Zn7—O3C—Zn4157.70 (11)
C7D—C5D—C6D—C1D175.5 (3)O1D—Zn4—O3C—C16C92.03 (16)
O1D—C1D—C6D—O2D0.5 (4)O4B—Zn4—O3C—C16C−152.03 (16)
C2D—C1D—C6D—O2D−178.3 (2)O4C—Zn4—O3C—C16C−27.85 (16)
O1D—C1D—C6D—C5D−177.6 (2)O2D—Zn4—O3C—C16C41.4 (4)
C2D—C1D—C6D—C5D3.6 (4)O1D—Zn4—O3C—Zn7−59.84 (10)
C2B—C1B—C6B—O1B177.4 (3)O4B—Zn4—O3C—Zn756.11 (10)
C7B—C1B—C6B—O1B−5.9 (5)O4C—Zn4—O3C—Zn7−179.71 (11)
C2B—C1B—C6B—C5B−2.4 (4)O2D—Zn4—O3C—Zn7−110.4 (3)
C7B—C1B—C6B—C5B174.3 (3)C11A—C16A—O3A—Zn5−0.4 (4)
O2B—C5B—C6B—O1B1.8 (4)C15A—C16A—O3A—Zn5177.49 (17)
C4B—C5B—C6B—O1B−176.5 (3)C11A—C16A—O3A—Zn2−150.3 (2)
O2B—C5B—C6B—C1B−178.3 (3)C15A—C16A—O3A—Zn227.6 (3)
C4B—C5B—C6B—C1B3.4 (4)O1A—Zn5—O3A—C16A147.6 (2)
C2A—C1A—C6A—O1A175.5 (3)O5W—Zn5—O3A—C16A−110.3 (2)
C7A—C1A—C6A—O1A−0.8 (5)N1A—Zn5—O3A—C16A35.0 (4)
C2A—C1A—C6A—C5A−3.0 (4)N2A—Zn5—O3A—C16A0.6 (2)
C7A—C1A—C6A—C5A−179.3 (3)O1A—Zn5—O3A—Zn2−66.45 (10)
O2A—C5A—C6A—O1A4.2 (4)O5W—Zn5—O3A—Zn235.62 (11)
C4A—C5A—C6A—O1A−174.5 (3)N1A—Zn5—O3A—Zn2−179.1 (3)
O2A—C5A—C6A—C1A−177.2 (3)N2A—Zn5—O3A—Zn2146.49 (11)
C4A—C5A—C6A—C1A4.1 (5)O4D—Zn2—O3A—C16A−154.26 (16)
C6A—C1A—C7A—N1A0.3 (5)O2B—Zn2—O3A—C16A89.24 (16)
C2A—C1A—C7A—N1A−176.1 (3)O4A—Zn2—O3A—C16A−32.82 (16)
C6C—C1C—C7C—N1C−9.6 (4)O1B—Zn2—O3A—C16A37.7 (3)
C2C—C1C—C7C—N1C178.0 (3)O4D—Zn2—O3A—Zn552.88 (10)
C2B—C1B—C7B—N1B−174.0 (3)O2B—Zn2—O3A—Zn5−63.62 (10)
C6B—C1B—C7B—N1B9.1 (5)O4A—Zn2—O3A—Zn5174.32 (11)
C6D—C5D—C7D—N3D5.1 (5)O1B—Zn2—O3A—Zn5−115.1 (2)
C4D—C5D—C7D—N3D−177.6 (3)C14D—C15D—O4D—Zn258.3 (3)
N1B—C8B—C9B—N2B49.8 (3)C16D—C15D—O4D—Zn2−123.3 (2)
N1A—C8A—C9A—N2A−45.1 (3)C14D—C15D—O4D—Zn1−152.1 (2)
N1C—C8C—C9C—N2C−48.4 (3)C16D—C15D—O4D—Zn126.3 (3)
N3D—C8D—C9D—N4D47.0 (3)O2B—Zn2—O4D—C15D−95.07 (19)
N2A—C10A—C11A—C16A5.4 (5)O4A—Zn2—O4D—C15D96.95 (19)
N2A—C10A—C11A—C12A−175.7 (3)O1B—Zn2—O4D—C15D−8.3 (2)
N2B—C10B—C11B—C12B172.5 (2)O3A—Zn2—O4D—C15D175.44 (18)
N2B—C10B—C11B—C16B−7.1 (4)O2B—Zn2—O4D—Zn1119.07 (10)
N4D—C10D—C11D—C12D173.3 (3)O4A—Zn2—O4D—Zn1−48.90 (13)
N4D—C10D—C11D—C16D−7.0 (4)O1B—Zn2—O4D—Zn1−154.17 (9)
N2C—C10C—C11C—C16C7.1 (5)O3A—Zn2—O4D—Zn129.59 (11)
N2C—C10C—C11C—C12C−173.5 (3)O4C—Zn1—O4D—C15D−118.52 (16)
C16B—C11B—C12B—C13B1.5 (4)O2A—Zn1—O4D—C15D52.99 (18)
C10B—C11B—C12B—C13B−178.2 (2)O1A—Zn1—O4D—C15D133.78 (16)
C16D—C11D—C12D—C13D1.1 (4)O3D—Zn1—O4D—C15D−28.46 (16)
C10D—C11D—C12D—C13D−179.2 (2)O4C—Zn1—O4D—Zn230.14 (14)
C16A—C11A—C12A—C13A−1.3 (5)O2A—Zn1—O4D—Zn2−158.34 (9)
C10A—C11A—C12A—C13A179.7 (3)O1A—Zn1—O4D—Zn2−77.55 (10)
C16C—C11C—C12C—C13C−1.0 (4)O3D—Zn1—O4D—Zn2120.21 (11)
C10C—C11C—C12C—C13C179.6 (3)C14B—C15B—O4B—Zn457.7 (3)
C11A—C12A—C13A—C14A0.8 (5)C16B—C15B—O4B—Zn4−125.7 (2)
C11C—C12C—C13C—C14C1.6 (4)C14B—C15B—O4B—Zn3−150.1 (2)
C11B—C12B—C13B—C14B−2.0 (4)C16B—C15B—O4B—Zn326.4 (3)
C11D—C12D—C13D—C14D−2.2 (4)O1D—Zn4—O4B—C15B−95.7 (2)
C12D—C13D—C14D—C15D0.6 (4)O4C—Zn4—O4B—C15B94.2 (2)
C12B—C13B—C14B—C15B−0.2 (4)O2D—Zn4—O4B—C15B−10.2 (2)
C12A—C13A—C14A—C15A0.1 (4)O3C—Zn4—O4B—C15B173.08 (19)
C12C—C13C—C14C—C15C1.4 (4)O1D—Zn4—O4B—Zn3116.14 (11)
C13D—C14D—C15D—O4D−179.6 (2)O4C—Zn4—O4B—Zn3−53.88 (14)
C13D—C14D—C15D—C16D2.1 (4)O2D—Zn4—O4B—Zn3−158.28 (10)
C13A—C14A—C15A—O4A−176.7 (3)O3C—Zn4—O4B—Zn324.97 (11)
C13A—C14A—C15A—C16A−0.5 (4)O4A—Zn3—O4B—C15B−116.44 (16)
C13C—C14C—C15C—O4C178.5 (3)O2C—Zn3—O4B—C15B51.85 (17)
C13C—C14C—C15C—C16C−4.9 (4)O1C—Zn3—O4B—C15B133.13 (15)
C13B—C14B—C15B—O4B179.3 (2)O3B—Zn3—O4B—C15B−29.68 (15)
C13B—C14B—C15B—C16B2.8 (4)O4A—Zn3—O4B—Zn435.51 (14)
C12D—C11D—C16D—O3D−178.5 (2)O2C—Zn3—O4B—Zn4−156.20 (9)
C10D—C11D—C16D—O3D1.8 (4)O1C—Zn3—O4B—Zn4−74.92 (11)
C12D—C11D—C16D—C15D1.5 (4)O3B—Zn3—O4B—Zn4122.27 (11)
C10D—C11D—C16D—C15D−178.2 (2)C14C—C15C—O4C—Zn1−60.1 (3)
O4D—C15D—C16D—O3D−1.5 (3)C16C—C15C—O4C—Zn1123.3 (2)
C14D—C15D—C16D—O3D177.0 (2)C14C—C15C—O4C—Zn4149.8 (2)
O4D—C15D—C16D—C11D178.5 (2)C16C—C15C—O4C—Zn4−26.8 (3)
C14D—C15D—C16D—C11D−3.1 (4)O2A—Zn1—O4C—C15C98.31 (18)
C12A—C11A—C16A—O3A178.7 (3)O4D—Zn1—O4C—C15C−89.13 (19)
C10A—C11A—C16A—O3A−2.4 (5)O1A—Zn1—O4C—C15C14.64 (19)
C12A—C11A—C16A—C15A0.9 (4)O3D—Zn1—O4C—C15C−170.14 (17)
C10A—C11A—C16A—C15A179.8 (3)O2A—Zn1—O4C—Zn4−115.24 (11)
O4A—C15A—C16A—O3A−1.6 (4)O4D—Zn1—O4C—Zn457.32 (14)
C14A—C15A—C16A—O3A−178.0 (2)O1A—Zn1—O4C—Zn4161.09 (10)
O4A—C15A—C16A—C11A176.4 (2)O3D—Zn1—O4C—Zn4−23.68 (11)
C14A—C15A—C16A—C11A0.0 (4)O1D—Zn4—O4C—C15C−54.91 (18)
C12B—C11B—C16B—O3B−179.0 (2)O4B—Zn4—O4C—C15C114.79 (16)
C10B—C11B—C16B—O3B0.7 (4)O2D—Zn4—O4C—C15C−138.16 (16)
C12B—C11B—C16B—C15B1.1 (4)O3C—Zn4—O4C—C15C28.85 (15)
C10B—C11B—C16B—C15B−179.2 (2)O1D—Zn4—O4C—Zn1155.00 (9)
O4B—C15B—C16B—O3B0.2 (3)O4B—Zn4—O4C—Zn1−35.29 (14)
C14B—C15B—C16B—O3B176.9 (2)O2D—Zn4—O4C—Zn171.76 (11)
O4B—C15B—C16B—C11B−179.9 (2)O3C—Zn4—O4C—Zn1−121.23 (11)
C14B—C15B—C16B—C11B−3.2 (4)C14A—C15A—O4A—Zn3−50.7 (3)
C12C—C11C—C16C—O3C177.8 (3)C16A—C15A—O4A—Zn3133.0 (2)
C10C—C11C—C16C—O3C−2.8 (5)C14A—C15A—O4A—Zn2148.4 (2)
C12C—C11C—C16C—C15C−2.4 (4)C16A—C15A—O4A—Zn2−27.9 (3)
C10C—C11C—C16C—C15C176.9 (3)O2C—Zn3—O4A—C15A93.16 (19)
O4C—C15C—C16C—O3C1.8 (4)O4B—Zn3—O4A—C15A−99.00 (18)
C14C—C15C—C16C—O3C−174.9 (2)O1C—Zn3—O4A—C15A5.72 (19)
O4C—C15C—C16C—C11C−178.0 (2)O3B—Zn3—O4A—C15A−178.23 (18)
C14C—C15C—C16C—C11C5.4 (4)O2C—Zn3—O4A—Zn2−109.52 (11)
C2D—C1D—O1D—Zn4−171.7 (2)O4B—Zn3—O4A—Zn258.32 (14)
C6D—C1D—O1D—Zn49.6 (3)O1C—Zn3—O4A—Zn2163.04 (10)
O4B—Zn4—O1D—C1D86.74 (17)O3B—Zn3—O4A—Zn2−20.91 (11)
O4C—Zn4—O1D—C1D−102.74 (17)O4D—Zn2—O4A—C15A119.18 (16)
O2D—Zn4—O1D—C1D−11.11 (16)O2B—Zn2—O4A—C15A−48.30 (18)
O3C—Zn4—O1D—C1D179.66 (16)O1B—Zn2—O4A—C15A−130.99 (16)
C1B—C6B—O1B—Zn6−8.8 (4)O3A—Zn2—O4A—C15A32.18 (15)
C5B—C6B—O1B—Zn6171.01 (18)O4D—Zn2—O4A—Zn3−40.76 (14)
C1B—C6B—O1B—Zn2177.7 (2)O2B—Zn2—O4A—Zn3151.77 (10)
C5B—C6B—O1B—Zn2−2.5 (3)O1B—Zn2—O4A—Zn369.08 (11)
O3B—Zn6—O1B—C6B−175.4 (2)O3A—Zn2—O4A—Zn3−127.76 (12)
O6W—Zn6—O1B—C6B−77.1 (2)O1—C1—N1—C3−179.0 (5)
N2B—Zn6—O1B—C6B86.8 (2)O1—C1—N1—C20.4 (7)
N1B—Zn6—O1B—C6B14.2 (2)C1B—C7B—N1B—C8B−174.5 (3)
O3B—Zn6—O1B—Zn2−2.56 (11)C1B—C7B—N1B—Zn62.3 (5)
O6W—Zn6—O1B—Zn295.79 (11)C9B—C8B—N1B—C7B129.3 (3)
N2B—Zn6—O1B—Zn2−100.36 (15)C9B—C8B—N1B—Zn6−48.0 (3)
N1B—Zn6—O1B—Zn2−172.94 (12)O1B—Zn6—N1B—C7B−11.3 (3)
O4D—Zn2—O1B—C6B−113.39 (17)O3B—Zn6—N1B—C7B−137.4 (4)
O2B—Zn2—O1B—C6B1.91 (17)O6W—Zn6—N1B—C7B92.8 (3)
O4A—Zn2—O1B—C6B122.32 (17)N2B—Zn6—N1B—C7B−151.6 (3)
O3A—Zn2—O1B—C6B54.3 (3)O1B—Zn6—N1B—C8B165.8 (2)
O4D—Zn2—O1B—Zn672.67 (11)O3B—Zn6—N1B—C8B39.7 (5)
O2B—Zn2—O1B—Zn6−172.03 (12)O6W—Zn6—N1B—C8B−90.1 (2)
O4A—Zn2—O1B—Zn6−51.63 (11)N2B—Zn6—N1B—C8B25.5 (2)
O3A—Zn2—O1B—Zn6−119.7 (2)C1A—C7A—N1A—C8A174.9 (3)
C1A—C6A—O1A—Zn5−3.7 (4)C1A—C7A—N1A—Zn54.4 (5)
C5A—C6A—O1A—Zn5174.85 (19)C9A—C8A—N1A—C7A−123.6 (3)
C1A—C6A—O1A—Zn1−168.1 (2)C9A—C8A—N1A—Zn548.3 (3)
C5A—C6A—O1A—Zn110.5 (3)O1A—Zn5—N1A—C7A−6.2 (3)
O3A—Zn5—O1A—C6A−160.5 (2)O3A—Zn5—N1A—C7A107.5 (4)
O5W—Zn5—O1A—C6A103.0 (2)O5W—Zn5—N1A—C7A−107.4 (3)
N1A—Zn5—O1A—C6A5.7 (2)N2A—Zn5—N1A—C7A142.7 (3)
N2A—Zn5—O1A—C6A−61.3 (3)O1A—Zn5—N1A—C8A−177.5 (2)
O3A—Zn5—O1A—Zn12.34 (11)O3A—Zn5—N1A—C8A−63.9 (4)
O5W—Zn5—O1A—Zn1−94.20 (10)O5W—Zn5—N1A—C8A81.2 (2)
N1A—Zn5—O1A—Zn1168.59 (11)N2A—Zn5—N1A—C8A−28.7 (2)
N2A—Zn5—O1A—Zn1101.57 (15)C1C—C7C—N1C—C8C168.0 (3)
O4C—Zn1—O1A—C6A91.96 (17)C1C—C7C—N1C—Zn7−6.0 (4)
O2A—Zn1—O1A—C6A−15.31 (17)C9C—C8C—N1C—C7C−130.4 (3)
O4D—Zn1—O1A—C6A−139.00 (17)C9C—C8C—N1C—Zn744.5 (3)
O3D—Zn1—O1A—C6A−73.5 (3)O1C—Zn7—N1C—C7C14.7 (3)
O4C—Zn1—O1A—Zn5−73.78 (11)O3C—Zn7—N1C—C7C129.7 (4)
O2A—Zn1—O1A—Zn5178.94 (12)O7W—Zn7—N1C—C7C−92.4 (3)
O4D—Zn1—O1A—Zn555.25 (11)N2C—Zn7—N1C—C7C151.9 (3)
O3D—Zn1—O1A—Zn5120.78 (18)O1C—Zn7—N1C—C8C−159.8 (2)
C1C—C6C—O1C—Zn75.3 (4)O3C—Zn7—N1C—C8C−44.8 (5)
C5C—C6C—O1C—Zn7−174.42 (17)O7W—Zn7—N1C—C8C93.1 (2)
C1C—C6C—O1C—Zn3−177.1 (2)N2C—Zn7—N1C—C8C−22.5 (2)
C5C—C6C—O1C—Zn33.2 (3)C11B—C10B—N2B—C9B−179.4 (2)
O3C—Zn7—O1C—C6C176.1 (2)C11B—C10B—N2B—Zn64.1 (4)
O7W—Zn7—O1C—C6C78.6 (2)C8B—C9B—N2B—C10B153.7 (2)
N2C—Zn7—O1C—C6C−85.9 (2)C8B—C9B—N2B—Zn6−29.4 (3)
N1C—Zn7—O1C—C6C−14.2 (2)O1B—Zn6—N2B—C10B103.6 (2)
O3C—Zn7—O1C—Zn3−1.32 (11)O3B—Zn6—N2B—C10B2.4 (2)
O7W—Zn7—O1C—Zn3−98.86 (10)O6W—Zn6—N2B—C10B−93.8 (2)
N2C—Zn7—O1C—Zn396.71 (13)N1B—Zn6—N2B—C10B179.5 (2)
N1C—Zn7—O1C—Zn3168.42 (11)O1B—Zn6—N2B—C9B−73.1 (2)
O4A—Zn3—O1C—C6C116.39 (16)O3B—Zn6—N2B—C9B−174.25 (18)
O2C—Zn3—O1C—C6C−3.18 (16)O6W—Zn6—N2B—C9B89.56 (19)
O4B—Zn3—O1C—C6C−119.88 (16)N1B—Zn6—N2B—C9B2.88 (18)
O3B—Zn3—O1C—C6C−50.8 (3)C11A—C10A—N2A—C9A−177.2 (3)
O4A—Zn3—O1C—Zn7−65.78 (11)C11A—C10A—N2A—Zn5−5.2 (5)
O2C—Zn3—O1C—Zn7174.65 (11)C8A—C9A—N2A—C10A−165.0 (3)
O4B—Zn3—O1C—Zn757.95 (10)C8A—C9A—N2A—Zn522.0 (3)
O3B—Zn3—O1C—Zn7126.99 (19)O1A—Zn5—N2A—C10A−99.6 (3)
C4A—C5A—O2A—Zn1160.9 (3)O3A—Zn5—N2A—C10A2.1 (3)
C6A—C5A—O2A—Zn1−17.8 (3)O5W—Zn5—N2A—C10A97.0 (3)
O4C—Zn1—O2A—C5A−81.6 (2)N1A—Zn5—N2A—C10A−169.3 (3)
O4D—Zn1—O2A—C5A105.5 (2)O1A—Zn5—N2A—C9A72.7 (3)
O1A—Zn1—O2A—C5A17.65 (19)O3A—Zn5—N2A—C9A174.4 (2)
O3D—Zn1—O2A—C5A−178.6 (2)O5W—Zn5—N2A—C9A−90.7 (2)
C5D—C6D—O2D—Zn8−1.8 (4)N1A—Zn5—N2A—C9A2.9 (2)
C1D—C6D—O2D—Zn8−179.73 (17)C11C—C10C—N2C—C9C−177.4 (3)
C5D—C6D—O2D—Zn4168.5 (2)C11C—C10C—N2C—Zn70.8 (4)
C1D—C6D—O2D—Zn4−9.4 (3)C8C—C9C—N2C—C10C−150.6 (3)
O3D—Zn8—O2D—C6D172.39 (19)C8C—C9C—N2C—Zn731.0 (3)
O8W—Zn8—O2D—C6D−90.4 (2)O1C—Zn7—N2C—C10C−109.0 (2)
N3D—Zn8—O2D—C6D2.6 (2)O3C—Zn7—N2C—C10C−8.1 (2)
N4D—Zn8—O2D—C6D72.3 (2)O7W—Zn7—N2C—C10C87.5 (2)
O3D—Zn8—O2D—Zn43.13 (11)N1C—Zn7—N2C—C10C176.1 (3)
O8W—Zn8—O2D—Zn4100.31 (10)O1C—Zn7—N2C—C9C69.3 (2)
N3D—Zn8—O2D—Zn4−166.66 (11)O3C—Zn7—N2C—C9C170.2 (2)
N4D—Zn8—O2D—Zn4−96.94 (15)O7W—Zn7—N2C—C9C−94.2 (2)
O1D—Zn4—O2D—C6D11.23 (16)N1C—Zn7—N2C—C9C−5.6 (2)
O4B—Zn4—O2D—C6D−103.68 (16)O2—C4—N2—C60.0 (5)
O4C—Zn4—O2D—C6D130.05 (16)O2—C4—N2—C5−180.0 (3)
O3C—Zn4—O2D—C6D62.6 (3)C5D—C7D—N3D—C8D−173.7 (3)
O1D—Zn4—O2D—Zn8−177.71 (11)C5D—C7D—N3D—Zn8−3.4 (4)
O4B—Zn4—O2D—Zn867.37 (11)C9D—C8D—N3D—C7D124.0 (3)
O4C—Zn4—O2D—Zn8−58.89 (11)C9D—C8D—N3D—Zn8−47.9 (3)
O3C—Zn4—O2D—Zn8−126.3 (3)O2D—Zn8—N3D—C7D−0.1 (3)
C4B—C5B—O2B—Zn2178.2 (2)O3D—Zn8—N3D—C7D−122.2 (4)
C6B—C5B—O2B—Zn20.0 (3)O8W—Zn8—N3D—C7D107.3 (3)
O4D—Zn2—O2B—C5B100.08 (19)N4D—Zn8—N3D—C7D−144.5 (3)
O4A—Zn2—O2B—C5B−91.9 (2)O2D—Zn8—N3D—C8D171.07 (18)
O1B—Zn2—O2B—C5B−1.00 (19)O3D—Zn8—N3D—C8D49.0 (5)
O3A—Zn2—O2B—C5B−166.98 (19)O8W—Zn8—N3D—C8D−81.54 (18)
C4C—C5C—O2C—Zn3179.2 (2)N4D—Zn8—N3D—C8D26.61 (17)
C6C—C5C—O2C—Zn3−1.8 (3)O3—C7—N3—C9−179.8 (6)
O4A—Zn3—O2C—C5C−99.03 (18)O3—C7—N3—C80.4 (10)
O4B—Zn3—O2C—C5C92.67 (18)O4—C10—N4—C12−5.1 (6)
O1C—Zn3—O2C—C5C2.66 (17)O4—C10—N4—C11−177.7 (3)
O3B—Zn3—O2C—C5C169.36 (17)C11D—C10D—N4D—C9D−178.4 (2)
C11D—C16D—O3D—Zn87.4 (3)C11D—C10D—N4D—Zn82.3 (4)
C15D—C16D—O3D—Zn8−172.64 (16)C8D—C9D—N4D—C10D154.8 (2)
C11D—C16D—O3D—Zn1158.5 (2)C8D—C9D—N4D—Zn8−25.7 (3)
C15D—C16D—O3D—Zn1−21.5 (2)O2D—Zn8—N4D—C10D106.8 (2)
O2D—Zn8—O3D—C16D−151.98 (18)O3D—Zn8—N4D—C10D4.2 (2)
O8W—Zn8—O3D—C16D99.72 (18)O8W—Zn8—N4D—C10D−90.5 (2)
N3D—Zn8—O3D—C16D−30.7 (5)N3D—Zn8—N4D—C10D179.7 (2)
N4D—Zn8—O3D—C16D−8.77 (18)O2D—Zn8—N4D—C9D−72.6 (2)
O2D—Zn8—O3D—Zn160.66 (10)O3D—Zn8—N4D—C9D−175.21 (18)
O8W—Zn8—O3D—Zn1−47.64 (10)O8W—Zn8—N4D—C9D90.09 (18)
N3D—Zn8—O3D—Zn1−178.1 (3)N3D—Zn8—N4D—C9D0.26 (18)
N4D—Zn8—O3D—Zn1−156.13 (10)O5—C13—N5—C15175.7 (3)
O4C—Zn1—O3D—C16D153.81 (15)O5—C13—N5—C143.4 (5)
O2A—Zn1—O3D—C16D−97.43 (15)O6—C19—N6—C186.6 (6)
O4D—Zn1—O3D—C16D27.30 (14)O6—C19—N6—C17178.7 (3)
O1A—Zn1—O3D—C16D−40.5 (3)
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O8W—H81W···O40.851.892.720 (3)163
O8W—H82W···O2A0.851.702.545 (3)172
O7W—H21W···O50.851.842.677 (3)167
O7W—H22W···O1D0.851.762.604 (3)173
O6W—H61W···O20.851.882.723 (3)174
O6W—H62W···O2C0.851.732.569 (3)170
O5W—H51W···O60.851.892.731 (3)171
O5W—H52W···O2B0.851.772.612 (2)171
C13A—H13A···O4i0.932.523.339 (4)148
C10D—H10D···O10.932.473.294 (4)147
C13—H13···O4B0.932.593.514 (4)175
Symmetry codes: (i) x+1, y, z.
Table 1
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O8W—H81W···O40.851.892.720 (3)163
O8W—H82W···O2A0.851.702.545 (3)172
O7W—H21W···O50.851.842.677 (3)167
O7W—H22W···O1D0.851.762.604 (3)173
O6W—H61W···O20.851.882.723 (3)174
O6W—H62W···O2C0.851.732.569 (3)170
O5W—H51W···O60.851.892.731 (3)171
O5W—H52W···O2B0.851.772.612 (2)171
C13A—H13A···O4i0.932.523.339 (4)148
C10D—H10D···O10.932.473.294 (4)147
C13—H13···O4B0.932.593.514 (4)175
Symmetry codes: (i) x+1, y, z.
Acknowledgements top

This work was supported by the National Basic Research Program of China (973 Program, 2007CB815301) and the Science & Technology Innovation Project of Xiamen University (No. K70025).

references
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