metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 65| Part 12| December 2009| Pages m1559-m1560

Tetra­aqua­tetra­kis{μ3-3,3′-[(E,E)-ethane-1,2-diylbis(nitrilo­methyl­­idyne)]benzene-1,2-diolato}octa­zinc(II) N,N-di­methyl­formamide hexa­solvate

aDepartment of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People's Republic of China, and bState Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005, People's Republic of China
*Correspondence e-mail: linlr@xmu.edu.cn

(Received 28 October 2009; accepted 6 November 2009; online 11 November 2009)

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.

Related literature

For applications of Schiff base–metal compounds, see: Xu et al. (2007[Xu, B.-S., Hao, Y.-Y., Fang, X.-H., Wang, H. & Liu, X.-G. (2007). Appl. Phys. Lett. 90, 053903-053903-3.]); Wu et al. (2006[Wu, Z.-K., Zhang, Y.-F., Ma, J.-S. & Yang, G.-Q. (2006). Inorg. Chem. 45, 3140-3142.]); Cametti et al. (2008[Cametti, M., Cort, A. D., Mandolini, L., Nissinen, M. & Rissanen, K. (2008). New J. Chem. 32, 1113-1116.]); Shi et al. (2009[Shi, L., Mao, W.-J., Yang, Y. & Zhu, H.-L. (2009). J. Coord. Chem. 62, 3471-3477.]); Dochnahl et al. (2006[Dochnahl, M., Pissarek, J. W., Blechert, S., Löhnwit, K. & Roesky, P. W. (2006). Chem. Commun. pp. 3405-3407.]); Wu et al. (2007[Wu, M., Jing, H.-W. & Chang, T. (2007). Catal. Commun. 8, 2217-2221.]); Rai et al. (2009[Rai, V. K., Srivastava, R. & Kamalasanan, M. N. (2009). Synth. Met. 159, 234-237.]). For the luminescence properties of zinc complexes, see: Yu et al. (2007[Yu, T.-Z., Su, W.-M., Li, W.-L., Hong, Z.-R., Hua, R.-N. & Li, B. (2007). Thin Solid Films, 515, 4080-4084.]); Kaplunov et al. (2008[Kaplunov, M. G., Yakushchenko, I. K., Krasnikova, S. S., Pivovarov, A. P. & Balashova, I. O. (2008). High Energy Chem. 42, 563-565.]). For the geometrical analysis of polyhedra with coordination number 5, see: Addison et al. (1984[Addison, A. W., Rao, T. N., Reedijk, J., van Rijn, J. & Verschoor, G. C. (1984). J. Chem. Soc. Dalton Trans. pp. 1349-1356.]). For Zn and Cd complexes of similar flexible, multidentate Schiff base ligands, see: Sanmartín et al. (2000[Sanmartín, J., Bermejo, M. R., García-Deibe, A. M., Rivas, I. M. & Fernánde, A. R. (2000). J. Chem. Soc. Dalton Trans. pp. 4174-4181.]). For synthesis of the ligand, see: Casellato et al. (1991[Casellato, U., Guerriero, G., Tamburini, S., Sitran, S. & Vigato, P. A. (1991). J. Chem. Soc. Dalton Trans. pp. 2145-2152.]); Miyamoto et al. (2002[Miyamoto, R., Sugai, T. & Sudoh, S. (2002). Polyhedron, 21, 2127-2135.]). For other related structures, see: Eltayeb et al. (2008[Eltayeb, N. E., Teoh, S. G., Chantrapromma, S., Fun, H.-K. & Adnan, R. (2008). Acta Cryst. E64, m912-m913.]); Chen et al. (2009[Chen, X.-H., Wu, Q.-J., Liang, Z.-Y., Zhan, C.-R. & Liu, J.-B. (2009). Acta Cryst. C65, m190-m194.]); Miyamoto et al. (2002[Miyamoto, R., Sugai, T. & Sudoh, S. (2002). Polyhedron, 21, 2127-2135.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn8(C16H12N2O4)4(H2O)4]·6C3H7NO

  • Mr = 2218.69

  • Triclinic, [P \overline 1]

  • a = 13.5451 (4) Å

  • b = 14.2114 (4) Å

  • c = 25.0620 (6) Å

  • α = 80.599 (2)°

  • β = 76.519 (2)°

  • γ = 72.734 (2)°

  • V = 4456.9 (2) Å3

  • Z = 2

  • Mo Kα radiation

  • μ = 2.20 mm−1

  • T = 298 K

  • 0.31 × 0.20 × 0.15 mm

Data collection
  • Oxford Diffraction Gemini S Ultra diffractometer

  • Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2008[Oxford Diffraction (2008). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]) Tmin = 0.516, Tmax = 0.719

  • 51671 measured reflections

  • 17430 independent reflections

  • 13557 reflections with I > 2σ(I)

  • Rint = 0.027

Refinement
  • R[F2 > 2σ(F2)] = 0.030

  • wR(F2) = 0.074

  • S = 1.04

  • 17430 reflections

  • 1184 parameters

  • H-atom parameters constrained

  • Δρmax = 0.62 e Å−3

  • Δρmin = −0.38 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
O8W—H81W⋯O4 0.85 1.89 2.720 (3) 163
O8W—H82W⋯O2A 0.85 1.70 2.545 (3) 172
O7W—H21W⋯O5 0.85 1.84 2.677 (3) 167
O7W—H22W⋯O1D 0.85 1.76 2.604 (3) 173
O6W—H61W⋯O2 0.85 1.88 2.723 (3) 174
O6W—H62W⋯O2C 0.85 1.73 2.569 (3) 170
O5W—H51W⋯O6 0.85 1.89 2.731 (3) 171
O5W—H52W⋯O2B 0.85 1.77 2.612 (2) 171
C13A—H13A⋯O4i 0.93 2.52 3.339 (4) 148
C10D—H10D⋯O1 0.93 2.47 3.294 (4) 147
C13—H13⋯O4B 0.93 2.59 3.514 (4) 175
Symmetry code: (i) x+1, y, z.

Data collection: CrysAlis CCD (Oxford Diffraction, 2008[Oxford Diffraction (2008). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]); cell refinement: CrysAlis RED (Oxford Diffraction, 2008[Oxford Diffraction (2008). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg 2008[Brandenburg, K. (2008). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97 and publCIF (Westrip, 2009[Westrip, S. (2009). publCIF. In preparation.]).

Supporting information


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 [CH(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 m3
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 mm1
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)
Graphite monochromatorRint = 0.027
Detector resolution: 16.1903 pixels mm-1θmax = 26.0°, θmin = 2.2°
ω scansh = 1616
Absorption correction: multi-scan
(CrysAlis RED; Oxford Diffraction, 2008)
k = 1716
Tmin = 0.516, Tmax = 0.719l = 2930
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 = 1.04(Δ/σ)max = 0.003
17430 reflectionsΔρmax = 0.62 e Å3
1184 parametersΔρmin = 0.38 e Å3
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 mm1
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 reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0300 restraints
wR(F2) = 0.074H-atom parameters constrained
S = 1.04Δρmax = 0.62 e Å3
17430 reflectionsΔρmin = 0.38 e Å3
1184 parameters
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)
H2B1.02020.39000.05600.038*
C2A0.5831 (3)0.2559 (2)0.20237 (14)0.0350 (8)
H2A0.60690.32410.20110.042*
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)
H3B1.11930.22800.05660.042*
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)
H3A0.43030.25000.21970.049*
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)
H4A0.36910.07860.22100.043*
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)
H7A0.78200.32180.18420.030*
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)
H7B0.87350.51480.02080.035*
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)
H81A0.99380.26810.14000.039*
H82A0.95140.35020.18110.039*
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)
H91A0.96510.28660.25650.042*
H92A1.07090.28460.21460.042*
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)
H10C0.93050.07700.40420.029*
C10A1.0164 (2)0.1142 (2)0.24711 (13)0.0294 (7)
H10A1.06870.15910.26370.035*
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)
H11E0.50820.03790.40780.075*
H11F0.45540.09180.46170.075*
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*
H12G0.25720.04090.48630.090*
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)
H12A1.11830.03810.29410.034*
C12C0.8095 (2)0.1356 (2)0.36281 (12)0.0257 (7)
H12C0.86050.18630.37730.031*
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)
H13C0.74490.22460.33600.033*
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)
H14C0.61910.09810.29840.027*
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)
H18E0.62740.14970.04860.084*
H18F0.51050.11530.03990.084*
H18G0.53420.14500.09960.084*
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)
H51W0.83850.03080.08540.033*
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, º) 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—C3C1.0 (4)O4C—Zn1—O3D—Zn853.03 (10)
C7C—C1C—C2C—C3C171.6 (3)O2A—Zn1—O3D—Zn855.73 (11)
O1D—C1D—C2D—C3D178.0 (3)O4D—Zn1—O3D—Zn8179.54 (11)
C6D—C1D—C2D—C3D3.3 (4)O1A—Zn1—O3D—Zn8112.61 (19)
C6B—C1B—C2B—C3B0.2 (5)C11B—C16B—O3B—Zn68.0 (3)
C7B—C1B—C2B—C3B176.7 (3)C15B—C16B—O3B—Zn6172.14 (15)
C6A—C1A—C2A—C3A0.3 (5)C11B—C16B—O3B—Zn3155.8 (2)
C7A—C1A—C2A—C3A176.8 (3)C15B—C16B—O3B—Zn324.3 (2)
C1C—C2C—C3C—C4C0.8 (4)O1B—Zn6—O3B—C16B147.45 (19)
C1B—C2B—C3B—C4B1.1 (5)O6W—Zn6—O3B—C16B107.34 (19)
C1D—C2D—C3D—C4D0.8 (5)N2B—Zn6—O3B—C16B8.17 (19)
C1A—C2A—C3A—C4A1.3 (5)N1B—Zn6—O3B—C16B22.1 (5)
C2C—C3C—C4C—C5C1.3 (4)O1B—Zn6—O3B—Zn368.57 (10)
C2A—C3A—C4A—C5A0.2 (5)O6W—Zn6—O3B—Zn336.63 (10)
C2B—C3B—C4B—C5B0.1 (5)N2B—Zn6—O3B—Zn3152.15 (10)
C2D—C3D—C4D—C5D1.3 (5)N1B—Zn6—O3B—Zn3166.0 (3)
C3B—C4B—C5B—O2B179.6 (3)O4A—Zn3—O3B—C16B150.77 (14)
C3B—C4B—C5B—C6B2.1 (5)O2C—Zn3—O3B—C16B88.40 (15)
C3C—C4C—C5C—O2C179.0 (3)O4B—Zn3—O3B—C16B29.73 (14)
C3C—C4C—C5C—C6C0.1 (4)O1C—Zn3—O3B—C16B41.6 (3)
C3A—C4A—C5A—O2A178.8 (3)O4A—Zn3—O3B—Zn658.05 (9)
C3A—C4A—C5A—C6A2.5 (5)O2C—Zn3—O3B—Zn662.78 (10)
C3D—C4D—C5D—C6D0.8 (5)O4B—Zn3—O3B—Zn6179.09 (10)
C3D—C4D—C5D—C7D178.2 (3)O1C—Zn3—O3B—Zn6109.6 (2)
C2C—C1C—C6C—O1C177.5 (2)C11C—C16C—O3C—Zn78.6 (4)
C7C—C1C—C6C—O1C10.4 (4)C15C—C16C—O3C—Zn7171.60 (17)
C2C—C1C—C6C—C5C2.3 (4)C11C—C16C—O3C—Zn4158.6 (2)
C7C—C1C—C6C—C5C169.9 (3)C15C—C16C—O3C—Zn421.6 (3)
O2C—C5C—C6C—O1C1.1 (3)O1C—Zn7—O3C—C16C147.7 (2)
C4C—C5C—C6C—O1C177.9 (2)O7W—Zn7—O3C—C16C104.2 (2)
O2C—C5C—C6C—C1C179.2 (2)N2C—Zn7—O3C—C16C11.7 (2)
C4C—C5C—C6C—C1C1.8 (4)N1C—Zn7—O3C—C16C33.6 (5)
C4D—C5D—C6D—O2D179.5 (3)O1C—Zn7—O3C—Zn466.33 (10)
C7D—C5D—C6D—O2D2.4 (4)O7W—Zn7—O3C—Zn441.77 (11)
C4D—C5D—C6D—C1D1.6 (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—C16C152.03 (16)
C2D—C1D—C6D—O2D178.3 (2)O4C—Zn4—O3C—C16C27.85 (16)
O1D—C1D—C6D—C5D177.6 (2)O2D—Zn4—O3C—C16C41.4 (4)
C2D—C1D—C6D—C5D3.6 (4)O1D—Zn4—O3C—Zn759.84 (10)
C2B—C1B—C6B—O1B177.4 (3)O4B—Zn4—O3C—Zn756.11 (10)
C7B—C1B—C6B—O1B5.9 (5)O4C—Zn4—O3C—Zn7179.71 (11)
C2B—C1B—C6B—C5B2.4 (4)O2D—Zn4—O3C—Zn7110.4 (3)
C7B—C1B—C6B—C5B174.3 (3)C11A—C16A—O3A—Zn50.4 (4)
O2B—C5B—C6B—O1B1.8 (4)C15A—C16A—O3A—Zn5177.49 (17)
C4B—C5B—C6B—O1B176.5 (3)C11A—C16A—O3A—Zn2150.3 (2)
O2B—C5B—C6B—C1B178.3 (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—C16A110.3 (2)
C7A—C1A—C6A—O1A0.8 (5)N1A—Zn5—O3A—C16A35.0 (4)
C2A—C1A—C6A—C5A3.0 (4)N2A—Zn5—O3A—C16A0.6 (2)
C7A—C1A—C6A—C5A179.3 (3)O1A—Zn5—O3A—Zn266.45 (10)
O2A—C5A—C6A—O1A4.2 (4)O5W—Zn5—O3A—Zn235.62 (11)
C4A—C5A—C6A—O1A174.5 (3)N1A—Zn5—O3A—Zn2179.1 (3)
O2A—C5A—C6A—C1A177.2 (3)N2A—Zn5—O3A—Zn2146.49 (11)
C4A—C5A—C6A—C1A4.1 (5)O4D—Zn2—O3A—C16A154.26 (16)
C6A—C1A—C7A—N1A0.3 (5)O2B—Zn2—O3A—C16A89.24 (16)
C2A—C1A—C7A—N1A176.1 (3)O4A—Zn2—O3A—C16A32.82 (16)
C6C—C1C—C7C—N1C9.6 (4)O1B—Zn2—O3A—C16A37.7 (3)
C2C—C1C—C7C—N1C178.0 (3)O4D—Zn2—O3A—Zn552.88 (10)
C2B—C1B—C7B—N1B174.0 (3)O2B—Zn2—O3A—Zn563.62 (10)
C6B—C1B—C7B—N1B9.1 (5)O4A—Zn2—O3A—Zn5174.32 (11)
C6D—C5D—C7D—N3D5.1 (5)O1B—Zn2—O3A—Zn5115.1 (2)
C4D—C5D—C7D—N3D177.6 (3)C14D—C15D—O4D—Zn258.3 (3)
N1B—C8B—C9B—N2B49.8 (3)C16D—C15D—O4D—Zn2123.3 (2)
N1A—C8A—C9A—N2A45.1 (3)C14D—C15D—O4D—Zn1152.1 (2)
N1C—C8C—C9C—N2C48.4 (3)C16D—C15D—O4D—Zn126.3 (3)
N3D—C8D—C9D—N4D47.0 (3)O2B—Zn2—O4D—C15D95.07 (19)
N2A—C10A—C11A—C16A5.4 (5)O4A—Zn2—O4D—C15D96.95 (19)
N2A—C10A—C11A—C12A175.7 (3)O1B—Zn2—O4D—C15D8.3 (2)
N2B—C10B—C11B—C12B172.5 (2)O3A—Zn2—O4D—C15D175.44 (18)
N2B—C10B—C11B—C16B7.1 (4)O2B—Zn2—O4D—Zn1119.07 (10)
N4D—C10D—C11D—C12D173.3 (3)O4A—Zn2—O4D—Zn148.90 (13)
N4D—C10D—C11D—C16D7.0 (4)O1B—Zn2—O4D—Zn1154.17 (9)
N2C—C10C—C11C—C16C7.1 (5)O3A—Zn2—O4D—Zn129.59 (11)
N2C—C10C—C11C—C12C173.5 (3)O4C—Zn1—O4D—C15D118.52 (16)
C16B—C11B—C12B—C13B1.5 (4)O2A—Zn1—O4D—C15D52.99 (18)
C10B—C11B—C12B—C13B178.2 (2)O1A—Zn1—O4D—C15D133.78 (16)
C16D—C11D—C12D—C13D1.1 (4)O3D—Zn1—O4D—C15D28.46 (16)
C10D—C11D—C12D—C13D179.2 (2)O4C—Zn1—O4D—Zn230.14 (14)
C16A—C11A—C12A—C13A1.3 (5)O2A—Zn1—O4D—Zn2158.34 (9)
C10A—C11A—C12A—C13A179.7 (3)O1A—Zn1—O4D—Zn277.55 (10)
C16C—C11C—C12C—C13C1.0 (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—Zn4125.7 (2)
C11C—C12C—C13C—C14C1.6 (4)C14B—C15B—O4B—Zn3150.1 (2)
C11B—C12B—C13B—C14B2.0 (4)C16B—C15B—O4B—Zn326.4 (3)
C11D—C12D—C13D—C14D2.2 (4)O1D—Zn4—O4B—C15B95.7 (2)
C12D—C13D—C14D—C15D0.6 (4)O4C—Zn4—O4B—C15B94.2 (2)
C12B—C13B—C14B—C15B0.2 (4)O2D—Zn4—O4B—C15B10.2 (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—O4D179.6 (2)O4C—Zn4—O4B—Zn353.88 (14)
C13D—C14D—C15D—C16D2.1 (4)O2D—Zn4—O4B—Zn3158.28 (10)
C13A—C14A—C15A—O4A176.7 (3)O3C—Zn4—O4B—Zn324.97 (11)
C13A—C14A—C15A—C16A0.5 (4)O4A—Zn3—O4B—C15B116.44 (16)
C13C—C14C—C15C—O4C178.5 (3)O2C—Zn3—O4B—C15B51.85 (17)
C13C—C14C—C15C—C16C4.9 (4)O1C—Zn3—O4B—C15B133.13 (15)
C13B—C14B—C15B—O4B179.3 (2)O3B—Zn3—O4B—C15B29.68 (15)
C13B—C14B—C15B—C16B2.8 (4)O4A—Zn3—O4B—Zn435.51 (14)
C12D—C11D—C16D—O3D178.5 (2)O2C—Zn3—O4B—Zn4156.20 (9)
C10D—C11D—C16D—O3D1.8 (4)O1C—Zn3—O4B—Zn474.92 (11)
C12D—C11D—C16D—C15D1.5 (4)O3B—Zn3—O4B—Zn4122.27 (11)
C10D—C11D—C16D—C15D178.2 (2)C14C—C15C—O4C—Zn160.1 (3)
O4D—C15D—C16D—O3D1.5 (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—Zn426.8 (3)
C14D—C15D—C16D—C11D3.1 (4)O2A—Zn1—O4C—C15C98.31 (18)
C12A—C11A—C16A—O3A178.7 (3)O4D—Zn1—O4C—C15C89.13 (19)
C10A—C11A—C16A—O3A2.4 (5)O1A—Zn1—O4C—C15C14.64 (19)
C12A—C11A—C16A—C15A0.9 (4)O3D—Zn1—O4C—C15C170.14 (17)
C10A—C11A—C16A—C15A179.8 (3)O2A—Zn1—O4C—Zn4115.24 (11)
O4A—C15A—C16A—O3A1.6 (4)O4D—Zn1—O4C—Zn457.32 (14)
C14A—C15A—C16A—O3A178.0 (2)O1A—Zn1—O4C—Zn4161.09 (10)
O4A—C15A—C16A—C11A176.4 (2)O3D—Zn1—O4C—Zn423.68 (11)
C14A—C15A—C16A—C11A0.0 (4)O1D—Zn4—O4C—C15C54.91 (18)
C12B—C11B—C16B—O3B179.0 (2)O4B—Zn4—O4C—C15C114.79 (16)
C10B—C11B—C16B—O3B0.7 (4)O2D—Zn4—O4C—C15C138.16 (16)
C12B—C11B—C16B—C15B1.1 (4)O3C—Zn4—O4C—C15C28.85 (15)
C10B—C11B—C16B—C15B179.2 (2)O1D—Zn4—O4C—Zn1155.00 (9)
O4B—C15B—C16B—O3B0.2 (3)O4B—Zn4—O4C—Zn135.29 (14)
C14B—C15B—C16B—O3B176.9 (2)O2D—Zn4—O4C—Zn171.76 (11)
O4B—C15B—C16B—C11B179.9 (2)O3C—Zn4—O4C—Zn1121.23 (11)
C14B—C15B—C16B—C11B3.2 (4)C14A—C15A—O4A—Zn350.7 (3)
C12C—C11C—C16C—O3C177.8 (3)C16A—C15A—O4A—Zn3133.0 (2)
C10C—C11C—C16C—O3C2.8 (5)C14A—C15A—O4A—Zn2148.4 (2)
C12C—C11C—C16C—C15C2.4 (4)C16A—C15A—O4A—Zn227.9 (3)
C10C—C11C—C16C—C15C176.9 (3)O2C—Zn3—O4A—C15A93.16 (19)
O4C—C15C—C16C—O3C1.8 (4)O4B—Zn3—O4A—C15A99.00 (18)
C14C—C15C—C16C—O3C174.9 (2)O1C—Zn3—O4A—C15A5.72 (19)
O4C—C15C—C16C—C11C178.0 (2)O3B—Zn3—O4A—C15A178.23 (18)
C14C—C15C—C16C—C11C5.4 (4)O2C—Zn3—O4A—Zn2109.52 (11)
C2D—C1D—O1D—Zn4171.7 (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—Zn220.91 (11)
O4C—Zn4—O1D—C1D102.74 (17)O4D—Zn2—O4A—C15A119.18 (16)
O2D—Zn4—O1D—C1D11.11 (16)O2B—Zn2—O4A—C15A48.30 (18)
O3C—Zn4—O1D—C1D179.66 (16)O1B—Zn2—O4A—C15A130.99 (16)
C1B—C6B—O1B—Zn68.8 (4)O3A—Zn2—O4A—C15A32.18 (15)
C5B—C6B—O1B—Zn6171.01 (18)O4D—Zn2—O4A—Zn340.76 (14)
C1B—C6B—O1B—Zn2177.7 (2)O2B—Zn2—O4A—Zn3151.77 (10)
C5B—C6B—O1B—Zn22.5 (3)O1B—Zn2—O4A—Zn369.08 (11)
O3B—Zn6—O1B—C6B175.4 (2)O3A—Zn2—O4A—Zn3127.76 (12)
O6W—Zn6—O1B—C6B77.1 (2)O1—C1—N1—C3179.0 (5)
N2B—Zn6—O1B—C6B86.8 (2)O1—C1—N1—C20.4 (7)
N1B—Zn6—O1B—C6B14.2 (2)C1B—C7B—N1B—C8B174.5 (3)
O3B—Zn6—O1B—Zn22.56 (11)C1B—C7B—N1B—Zn62.3 (5)
O6W—Zn6—O1B—Zn295.79 (11)C9B—C8B—N1B—C7B129.3 (3)
N2B—Zn6—O1B—Zn2100.36 (15)C9B—C8B—N1B—Zn648.0 (3)
N1B—Zn6—O1B—Zn2172.94 (12)O1B—Zn6—N1B—C7B11.3 (3)
O4D—Zn2—O1B—C6B113.39 (17)O3B—Zn6—N1B—C7B137.4 (4)
O2B—Zn2—O1B—C6B1.91 (17)O6W—Zn6—N1B—C7B92.8 (3)
O4A—Zn2—O1B—C6B122.32 (17)N2B—Zn6—N1B—C7B151.6 (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—Zn6172.03 (12)O6W—Zn6—N1B—C8B90.1 (2)
O4A—Zn2—O1B—Zn651.63 (11)N2B—Zn6—N1B—C8B25.5 (2)
O3A—Zn2—O1B—Zn6119.7 (2)C1A—C7A—N1A—C8A174.9 (3)
C1A—C6A—O1A—Zn53.7 (4)C1A—C7A—N1A—Zn54.4 (5)
C5A—C6A—O1A—Zn5174.85 (19)C9A—C8A—N1A—C7A123.6 (3)
C1A—C6A—O1A—Zn1168.1 (2)C9A—C8A—N1A—Zn548.3 (3)
C5A—C6A—O1A—Zn110.5 (3)O1A—Zn5—N1A—C7A6.2 (3)
O3A—Zn5—O1A—C6A160.5 (2)O3A—Zn5—N1A—C7A107.5 (4)
O5W—Zn5—O1A—C6A103.0 (2)O5W—Zn5—N1A—C7A107.4 (3)
N1A—Zn5—O1A—C6A5.7 (2)N2A—Zn5—N1A—C7A142.7 (3)
N2A—Zn5—O1A—C6A61.3 (3)O1A—Zn5—N1A—C8A177.5 (2)
O3A—Zn5—O1A—Zn12.34 (11)O3A—Zn5—N1A—C8A63.9 (4)
O5W—Zn5—O1A—Zn194.20 (10)O5W—Zn5—N1A—C8A81.2 (2)
N1A—Zn5—O1A—Zn1168.59 (11)N2A—Zn5—N1A—C8A28.7 (2)
N2A—Zn5—O1A—Zn1101.57 (15)C1C—C7C—N1C—C8C168.0 (3)
O4C—Zn1—O1A—C6A91.96 (17)C1C—C7C—N1C—Zn76.0 (4)
O2A—Zn1—O1A—C6A15.31 (17)C9C—C8C—N1C—C7C130.4 (3)
O4D—Zn1—O1A—C6A139.00 (17)C9C—C8C—N1C—Zn744.5 (3)
O3D—Zn1—O1A—C6A73.5 (3)O1C—Zn7—N1C—C7C14.7 (3)
O4C—Zn1—O1A—Zn573.78 (11)O3C—Zn7—N1C—C7C129.7 (4)
O2A—Zn1—O1A—Zn5178.94 (12)O7W—Zn7—N1C—C7C92.4 (3)
O4D—Zn1—O1A—Zn555.25 (11)N2C—Zn7—N1C—C7C151.9 (3)
O3D—Zn1—O1A—Zn5120.78 (18)O1C—Zn7—N1C—C8C159.8 (2)
C1C—C6C—O1C—Zn75.3 (4)O3C—Zn7—N1C—C8C44.8 (5)
C5C—C6C—O1C—Zn7174.42 (17)O7W—Zn7—N1C—C8C93.1 (2)
C1C—C6C—O1C—Zn3177.1 (2)N2C—Zn7—N1C—C8C22.5 (2)
C5C—C6C—O1C—Zn33.2 (3)C11B—C10B—N2B—C9B179.4 (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—C6C85.9 (2)C8B—C9B—N2B—Zn629.4 (3)
N1C—Zn7—O1C—C6C14.2 (2)O1B—Zn6—N2B—C10B103.6 (2)
O3C—Zn7—O1C—Zn31.32 (11)O3B—Zn6—N2B—C10B2.4 (2)
O7W—Zn7—O1C—Zn398.86 (10)O6W—Zn6—N2B—C10B93.8 (2)
N2C—Zn7—O1C—Zn396.71 (13)N1B—Zn6—N2B—C10B179.5 (2)
N1C—Zn7—O1C—Zn3168.42 (11)O1B—Zn6—N2B—C9B73.1 (2)
O4A—Zn3—O1C—C6C116.39 (16)O3B—Zn6—N2B—C9B174.25 (18)
O2C—Zn3—O1C—C6C3.18 (16)O6W—Zn6—N2B—C9B89.56 (19)
O4B—Zn3—O1C—C6C119.88 (16)N1B—Zn6—N2B—C9B2.88 (18)
O3B—Zn3—O1C—C6C50.8 (3)C11A—C10A—N2A—C9A177.2 (3)
O4A—Zn3—O1C—Zn765.78 (11)C11A—C10A—N2A—Zn55.2 (5)
O2C—Zn3—O1C—Zn7174.65 (11)C8A—C9A—N2A—C10A165.0 (3)
O4B—Zn3—O1C—Zn757.95 (10)C8A—C9A—N2A—Zn522.0 (3)
O3B—Zn3—O1C—Zn7126.99 (19)O1A—Zn5—N2A—C10A99.6 (3)
C4A—C5A—O2A—Zn1160.9 (3)O3A—Zn5—N2A—C10A2.1 (3)
C6A—C5A—O2A—Zn117.8 (3)O5W—Zn5—N2A—C10A97.0 (3)
O4C—Zn1—O2A—C5A81.6 (2)N1A—Zn5—N2A—C10A169.3 (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—C5A178.6 (2)O5W—Zn5—N2A—C9A90.7 (2)
C5D—C6D—O2D—Zn81.8 (4)N1A—Zn5—N2A—C9A2.9 (2)
C1D—C6D—O2D—Zn8179.73 (17)C11C—C10C—N2C—C9C177.4 (3)
C5D—C6D—O2D—Zn4168.5 (2)C11C—C10C—N2C—Zn70.8 (4)
C1D—C6D—O2D—Zn49.4 (3)C8C—C9C—N2C—C10C150.6 (3)
O3D—Zn8—O2D—C6D172.39 (19)C8C—C9C—N2C—Zn731.0 (3)
O8W—Zn8—O2D—C6D90.4 (2)O1C—Zn7—N2C—C10C109.0 (2)
N3D—Zn8—O2D—C6D2.6 (2)O3C—Zn7—N2C—C10C8.1 (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—Zn4166.66 (11)O3C—Zn7—N2C—C9C170.2 (2)
N4D—Zn8—O2D—Zn496.94 (15)O7W—Zn7—N2C—C9C94.2 (2)
O1D—Zn4—O2D—C6D11.23 (16)N1C—Zn7—N2C—C9C5.6 (2)
O4B—Zn4—O2D—C6D103.68 (16)O2—C4—N2—C60.0 (5)
O4C—Zn4—O2D—C6D130.05 (16)O2—C4—N2—C5180.0 (3)
O3C—Zn4—O2D—C6D62.6 (3)C5D—C7D—N3D—C8D173.7 (3)
O1D—Zn4—O2D—Zn8177.71 (11)C5D—C7D—N3D—Zn83.4 (4)
O4B—Zn4—O2D—Zn867.37 (11)C9D—C8D—N3D—C7D124.0 (3)
O4C—Zn4—O2D—Zn858.89 (11)C9D—C8D—N3D—Zn847.9 (3)
O3C—Zn4—O2D—Zn8126.3 (3)O2D—Zn8—N3D—C7D0.1 (3)
C4B—C5B—O2B—Zn2178.2 (2)O3D—Zn8—N3D—C7D122.2 (4)
C6B—C5B—O2B—Zn20.0 (3)O8W—Zn8—N3D—C7D107.3 (3)
O4D—Zn2—O2B—C5B100.08 (19)N4D—Zn8—N3D—C7D144.5 (3)
O4A—Zn2—O2B—C5B91.9 (2)O2D—Zn8—N3D—C8D171.07 (18)
O1B—Zn2—O2B—C5B1.00 (19)O3D—Zn8—N3D—C8D49.0 (5)
O3A—Zn2—O2B—C5B166.98 (19)O8W—Zn8—N3D—C8D81.54 (18)
C4C—C5C—O2C—Zn3179.2 (2)N4D—Zn8—N3D—C8D26.61 (17)
C6C—C5C—O2C—Zn31.8 (3)O3—C7—N3—C9179.8 (6)
O4A—Zn3—O2C—C5C99.03 (18)O3—C7—N3—C80.4 (10)
O4B—Zn3—O2C—C5C92.67 (18)O4—C10—N4—C125.1 (6)
O1C—Zn3—O2C—C5C2.66 (17)O4—C10—N4—C11177.7 (3)
O3B—Zn3—O2C—C5C169.36 (17)C11D—C10D—N4D—C9D178.4 (2)
C11D—C16D—O3D—Zn87.4 (3)C11D—C10D—N4D—Zn82.3 (4)
C15D—C16D—O3D—Zn8172.64 (16)C8D—C9D—N4D—C10D154.8 (2)
C11D—C16D—O3D—Zn1158.5 (2)C8D—C9D—N4D—Zn825.7 (3)
C15D—C16D—O3D—Zn121.5 (2)O2D—Zn8—N4D—C10D106.8 (2)
O2D—Zn8—O3D—C16D151.98 (18)O3D—Zn8—N4D—C10D4.2 (2)
O8W—Zn8—O3D—C16D99.72 (18)O8W—Zn8—N4D—C10D90.5 (2)
N3D—Zn8—O3D—C16D30.7 (5)N3D—Zn8—N4D—C10D179.7 (2)
N4D—Zn8—O3D—C16D8.77 (18)O2D—Zn8—N4D—C9D72.6 (2)
O2D—Zn8—O3D—Zn160.66 (10)O3D—Zn8—N4D—C9D175.21 (18)
O8W—Zn8—O3D—Zn147.64 (10)O8W—Zn8—N4D—C9D90.09 (18)
N3D—Zn8—O3D—Zn1178.1 (3)N3D—Zn8—N4D—C9D0.26 (18)
N4D—Zn8—O3D—Zn1156.13 (10)O5—C13—N5—C15175.7 (3)
O4C—Zn1—O3D—C16D153.81 (15)O5—C13—N5—C143.4 (5)
O2A—Zn1—O3D—C16D97.43 (15)O6—C19—N6—C186.6 (6)
O4D—Zn1—O3D—C16D27.30 (14)O6—C19—N6—C17178.7 (3)
O1A—Zn1—O3D—C16D40.5 (3)
Hydrogen-bond geometry (Å, º) 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 code: (i) x+1, y, z.

Experimental details

Crystal data
Chemical formula[Zn8(C16H12N2O4)4(H2O)4]·6C3H7NO
Mr2218.69
Crystal system, space groupTriclinic, P1
Temperature (K)298
a, b, c (Å)13.5451 (4), 14.2114 (4), 25.0620 (6)
α, β, γ (°)80.599 (2), 76.519 (2), 72.734 (2)
V3)4456.9 (2)
Z2
Radiation typeMo Kα
µ (mm1)2.20
Crystal size (mm)0.31 × 0.20 × 0.15
Data collection
DiffractometerOxford Diffraction Gemini S Ultra
diffractometer
Absorption correctionMulti-scan
(CrysAlis RED; Oxford Diffraction, 2008)
Tmin, Tmax0.516, 0.719
No. of measured, independent and
observed [I > 2σ(I)] reflections
51671, 17430, 13557
Rint0.027
(sin θ/λ)max1)0.617
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.030, 0.074, 1.04
No. of reflections17430
No. of parameters1184
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.62, 0.38

Computer programs: CrysAlis CCD (Oxford Diffraction, 2008), CrysAlis RED (Oxford Diffraction, 2008), SHELXS97 (Sheldrick, 2008), DIAMOND (Brandenburg 2008), SHELXL97 (Sheldrick, 2008) and publCIF (Westrip, 2009).

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O8W—H81W···O40.851.892.720 (3)163.4
O8W—H82W···O2A0.851.702.545 (3)171.8
O7W—H21W···O50.851.842.677 (3)166.9
O7W—H22W···O1D0.851.762.604 (3)172.8
O6W—H61W···O20.851.882.723 (3)173.5
O6W—H62W···O2C0.851.732.569 (3)169.8
O5W—H51W···O60.851.892.731 (3)170.5
O5W—H52W···O2B0.851.772.612 (2)171.4
C13A—H13A···O4i0.932.523.339 (4)147.7
C10D—H10D···O10.932.473.294 (4)147.0
C13—H13···O4B0.932.593.514 (4)174.6
Symmetry code: (i) x+1, y, z.
 

Acknowledgements

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

First citationAddison, A. W., Rao, T. N., Reedijk, J., van Rijn, J. & Verschoor, G. C. (1984). J. Chem. Soc. Dalton Trans. pp. 1349–1356.  CSD CrossRef Web of Science Google Scholar
First citationBrandenburg, K. (2008). DIAMOND. Crystal Impact GbR, Bonn, Germany.  Google Scholar
First citationCametti, M., Cort, A. D., Mandolini, L., Nissinen, M. & Rissanen, K. (2008). New J. Chem. 32, 1113–1116.  Web of Science CSD CrossRef CAS Google Scholar
First citationCasellato, U., Guerriero, G., Tamburini, S., Sitran, S. & Vigato, P. A. (1991). J. Chem. Soc. Dalton Trans. pp. 2145–2152.  CSD CrossRef Web of Science Google Scholar
First citationChen, X.-H., Wu, Q.-J., Liang, Z.-Y., Zhan, C.-R. & Liu, J.-B. (2009). Acta Cryst. C65, m190–m194.  Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
First citationDochnahl, M., Pissarek, J. W., Blechert, S., Löhnwit, K. & Roesky, P. W. (2006). Chem. Commun. pp. 3405–3407.  Web of Science CSD CrossRef Google Scholar
First citationEltayeb, N. E., Teoh, S. G., Chantrapromma, S., Fun, H.-K. & Adnan, R. (2008). Acta Cryst. E64, m912–m913.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationKaplunov, M. G., Yakushchenko, I. K., Krasnikova, S. S., Pivovarov, A. P. & Balashova, I. O. (2008). High Energy Chem. 42, 563–565.  Web of Science CrossRef CAS Google Scholar
First citationMiyamoto, R., Sugai, T. & Sudoh, S. (2002). Polyhedron, 21, 2127–2135.  Web of Science CrossRef CAS Google Scholar
First citationOxford Diffraction (2008). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.  Google Scholar
First citationRai, V. K., Srivastava, R. & Kamalasanan, M. N. (2009). Synth. Met. 159, 234–237.  Web of Science CrossRef CAS Google Scholar
First citationSanmartín, J., Bermejo, M. R., García-Deibe, A. M., Rivas, I. M. & Fernánde, A. R. (2000). J. Chem. Soc. Dalton Trans. pp. 4174–4181.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationShi, L., Mao, W.-J., Yang, Y. & Zhu, H.-L. (2009). J. Coord. Chem. 62, 3471–3477.  Web of Science CSD CrossRef CAS Google Scholar
First citationWestrip, S. (2009). publCIF. In preparation.  Google Scholar
First citationWu, M., Jing, H.-W. & Chang, T. (2007). Catal. Commun. 8, 2217–2221.  Web of Science CrossRef CAS Google Scholar
First citationWu, Z.-K., Zhang, Y.-F., Ma, J.-S. & Yang, G.-Q. (2006). Inorg. Chem. 45, 3140–3142.  Web of Science CrossRef PubMed CAS Google Scholar
First citationXu, B.-S., Hao, Y.-Y., Fang, X.-H., Wang, H. & Liu, X.-G. (2007). Appl. Phys. Lett. 90, 053903–053903-3.  Google Scholar
First citationYu, T.-Z., Su, W.-M., Li, W.-L., Hong, Z.-R., Hua, R.-N. & Li, B. (2007). Thin Solid Films, 515, 4080–4084.  Web of Science CrossRef CAS Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 65| Part 12| December 2009| Pages m1559-m1560
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds