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The hydro­xide group in the centrosymmetric title complex, {[Zn4(C9H6O5)3(OH)2(C10H8N2)2]·2H2O}n, which adopts a three-dimensional network structure, bridges three Zn atoms. One of the symmetry-independent di­carboxyl­ate groups chelates to a Zn—OH—Zn unit through the carboxyl group on the aromatic ring, while its other oxy­acetate arm uses only one O atom for binding. The other di­carboxyl­ate dianion is disordered over a center of inversion and functions as a chelating ligand to two Zn—OH—Zn units. The modes of coordination by the hydro­xide, heterocycle and di­carboxyl­ate ligands give rise to tetrahedral coordination for one Zn atom and octahedral coordination for the other.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804020859/ci6423sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804020859/ci6423Isup2.hkl
Contains datablock I

CCDC reference: 251620

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.051
  • wR factor = 0.128
  • Data-to-parameter ratio = 14.9

checkCIF/PLATON results

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Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 12 PLAT301_ALERT_3_C Main Residue Disorder ......................... 25.00 Perc. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

polymeric tris(µ3-4-carboxyphenoxyacetato)di-µ3-hydroxo-bis(µ2-4,4'- pyridine)tetrazinc(IV) dihydrate top
Crystal data top
[Zn4(C9H6O5)3(OH)2(C10H8N2)2]·2H2OZ = 1
Mr = 1226.31F(000) = 622
Triclinic, P1Dx = 1.682 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.679 (4) ÅCell parameters from 12424 reflections
b = 10.913 (4) Åθ = 3.3–27.5°
c = 12.140 (4) ŵ = 2.04 mm1
α = 112.43 (3)°T = 295 K
β = 104.07 (3)°Prism, colourless
γ = 100.10 (3)°0.39 × 0.27 × 0.18 mm
V = 1210.4 (8) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer
5503 independent reflections
Radiation source: fine-focus sealed tube4737 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.019
ω scansθmax = 27.5°, θmin = 3.3°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 1312
Tmin = 0.545, Tmax = 0.696k = 1414
11901 measured reflectionsl = 1415
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.051Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.128H atoms treated by a mixture of independent and constrained refinement
S = 1.12 w = 1/[σ2(Fo2) + (0.0515P)2 + 3.5764P]
where P = (Fo2 + 2Fc2)/3
5503 reflections(Δ/σ)max = 0.001
370 parametersΔρmax = 0.94 e Å3
271 restraintsΔρmin = 0.95 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Zn10.48181 (4)0.42010 (5)0.85313 (4)0.0228 (1)
Zn20.76061 (4)0.42965 (5)1.01609 (4)0.0248 (1)
O10.5643 (3)0.2776 (3)0.7418 (3)0.0371 (7)
O20.7537 (3)0.2723 (4)0.8656 (3)0.0401 (8)
O30.8481 (3)0.0142 (3)0.3466 (3)0.0406 (8)
O40.5605 (4)0.1598 (3)0.0645 (3)0.0424 (8)
O50.6712 (3)0.2460 (3)0.1837 (3)0.0325 (6)
O60.6465 (3)0.5822 (3)0.8749 (3)0.0341 (7)
O70.8424 (3)0.5964 (3)1.0053 (3)0.0368 (7)
O81.043 (1)1.159 (1)0.987 (1)0.039 (3)0.50
O90.5858 (2)0.4284 (3)1.0310 (2)0.0212 (5)
O1w0.504 (1)0.101 (1)0.1443 (9)0.187 (4)
N10.3629 (3)0.4199 (3)0.6833 (3)0.0298 (7)
N20.1038 (3)0.4260 (3)0.1627 (3)0.0276 (7)
C10.364 (1)0.5380 (9)0.675 (1)0.032 (2)0.50
C20.2780 (8)0.543 (1)0.5718 (8)0.039 (2)0.50
C30.1849 (4)0.4209 (4)0.4727 (4)0.0325 (9)
C40.189 (1)0.299 (1)0.4833 (12)0.046 (3)0.50
C50.2766 (8)0.301 (1)0.5888 (9)0.053 (3)0.50
C60.0262 (7)0.5006 (8)0.206 (1)0.036 (2)0.50
C70.125 (1)0.5023 (9)0.306 (1)0.041 (2)0.50
C80.0864 (4)0.4219 (4)0.3640 (4)0.0303 (9)
C90.048 (1)0.345 (1)0.319 (1)0.044 (3)0.50
C100.140 (1)0.3491 (9)0.219 (1)0.044 (2)0.50
C1'0.393 (1)0.5177 (8)0.6458 (9)0.032 (2)0.50
C2'0.3082 (8)0.523 (1)0.5421 (8)0.039 (2)0.50
C4'0.150 (1)0.318 (1)0.510 (1)0.046 (3)0.50
C5'0.2422 (7)0.323 (1)0.615 (1)0.053 (3)0.50
C6'0.0085 (7)0.532 (1)0.2340 (9)0.036 (2)0.50
C7'0.104 (1)0.532 (1)0.334 (1)0.041 (2)0.50
C9'0.030 (1)0.312 (1)0.288 (1)0.044 (3)0.50
C10'0.122 (1)0.318 (1)0.189 (1)0.044 (2)0.50
C110.6698 (4)0.2431 (4)0.7582 (4)0.0283 (8)
C120.7053 (3)0.1649 (3)0.6448 (2)0.0283 (8)
C130.8298 (3)0.1389 (3)0.6621 (2)0.038 (1)
C140.8727 (2)0.0849 (3)0.5591 (2)0.040 (1)
C150.7911 (3)0.0569 (3)0.4388 (2)0.0314 (9)
C160.6667 (2)0.0829 (3)0.4215 (2)0.0339 (9)
C170.6238 (2)0.1369 (3)0.5245 (2)0.0324 (9)
C180.7701 (5)0.0153 (5)0.2212 (4)0.037 (1)
C190.6563 (4)0.1527 (4)0.1513 (4)0.0277 (8)
C200.7688 (4)0.6399 (4)0.9396 (4)0.0257 (8)
C210.847 (1)0.7737 (9)0.9462 (10)0.024 (4)0.50
C220.984 (1)0.831 (1)1.0150 (12)0.030 (4)0.50
C231.0533 (6)0.960 (1)1.029 (1)0.029 (3)0.50
C240.9847 (6)1.0309 (9)0.9748 (13)0.030 (3)0.50
C250.7780 (6)0.8448 (7)0.8916 (7)0.034 (2)0.50
C260.8470 (7)0.9734 (7)0.9059 (8)0.039 (2)0.50
C271.181 (2)1.228 (1)1.069 (2)0.028 (3)0.50
H9o0.54580.34011.03050.025*
H1w10.52360.11550.07630.224*
H1w20.48770.02020.11650.224*
H10.42490.62050.74110.039*0.50
H20.28260.62700.56880.047*0.50
H40.13050.21500.41790.056*0.50
H50.27560.21740.59380.063*0.50
H60.05220.55460.16760.043*0.50
H70.21400.55600.33320.049*0.50
H90.07710.29010.35620.053*0.50
H100.22980.29640.19030.053*0.50
H1'0.47640.58640.69150.039*0.50
H2'0.33370.59330.51970.047*0.50
H4'0.06700.24880.46610.056*0.50
H5'0.21890.25390.64010.063*0.50
H6'0.02300.60760.21630.043*0.50
H7'0.18230.60680.38090.049*0.50
H9'0.04610.23380.30260.053*0.50
H10'0.19960.24280.13930.053*0.50
H130.88430.15770.74260.045*
H140.95590.06760.57070.048*
H160.61210.06410.34100.041*
H170.54050.15420.51300.039*
H18a0.83010.01680.17250.044*
H18b0.73110.05950.22520.044*
H221.03030.78381.05150.037*0.50
H231.14540.99841.07540.035*0.50
H260.80111.02090.86940.047*0.50
H250.68590.80620.84550.040*0.50
H27a1.23611.16831.04390.033*0.50
H27b1.18721.24881.15510.033*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0213 (2)0.0263 (2)0.0188 (2)0.0074 (2)0.0024 (2)0.0106 (2)
Zn20.0216 (2)0.0304 (3)0.0227 (2)0.0086 (2)0.0033 (2)0.0145 (2)
O10.037 (2)0.043 (2)0.028 (2)0.020 (1)0.010 (1)0.010 (1)
O20.044 (2)0.049 (2)0.024 (2)0.026 (2)0.008 (1)0.010 (1)
O30.033 (2)0.041 (2)0.030 (2)0.004 (1)0.012 (1)0.000 (1)
O40.049 (2)0.031 (2)0.044 (2)0.006 (1)0.005 (2)0.023 (2)
O50.031 (2)0.028 (2)0.034 (2)0.003 (1)0.004 (1)0.015 (1)
O60.026 (2)0.034 (2)0.036 (2)0.004 (1)0.003 (1)0.020 (1)
O70.028 (2)0.041 (2)0.048 (2)0.009 (1)0.009 (1)0.030 (2)
O80.025 (4)0.034 (5)0.061 (6)0.002 (4)0.006 (4)0.032 (5)
O90.019 (1)0.021 (1)0.022 (1)0.005 (1)0.004 (1)0.010 (1)
O1w0.284 (9)0.172 (7)0.142 (6)0.133 (6)0.049 (5)0.095 (5)
N10.031 (2)0.029 (2)0.022 (2)0.007 (1)0.002 (1)0.012 (1)
N20.024 (2)0.034 (2)0.023 (2)0.008 (1)0.002 (1)0.015 (1)
C10.026 (4)0.037 (3)0.028 (4)0.001 (2)0.001 (3)0.017 (3)
C20.035 (4)0.042 (3)0.038 (4)0.001 (3)0.000 (3)0.027 (3)
C30.032 (2)0.031 (2)0.027 (2)0.004 (2)0.003 (2)0.017 (2)
C40.042 (5)0.040 (3)0.040 (4)0.003 (3)0.013 (3)0.023 (3)
C50.056 (5)0.042 (4)0.047 (4)0.004 (3)0.012 (3)0.029 (3)
C60.041 (3)0.024 (4)0.033 (4)0.007 (3)0.001 (3)0.015 (3)
C70.038 (4)0.036 (4)0.039 (4)0.000 (3)0.006 (3)0.022 (4)
C80.030 (2)0.029 (2)0.025 (2)0.004 (2)0.002 (2)0.014 (2)
C90.042 (3)0.034 (5)0.047 (5)0.001 (3)0.006 (3)0.027 (4)
C100.034 (3)0.041 (4)0.046 (5)0.002 (3)0.008 (3)0.026 (4)
C1'0.026 (4)0.037 (3)0.028 (4)0.001 (2)0.001 (3)0.017 (3)
C2'0.035 (4)0.042 (3)0.038 (4)0.001 (3)0.000 (3)0.027 (3)
C4'0.042 (5)0.040 (3)0.040 (4)0.003 (3)0.013 (3)0.023 (3)
C5'0.056 (5)0.042 (4)0.047 (4)0.004 (3)0.012 (3)0.029 (3)
C6'0.041 (3)0.024 (4)0.033 (4)0.007 (3)0.001 (3)0.015 (3)
C7'0.038 (4)0.036 (4)0.039 (4)0.000 (3)0.006 (3)0.022 (4)
C9'0.042 (3)0.034 (5)0.047 (5)0.001 (3)0.006 (3)0.027 (4)
C10'0.034 (3)0.041 (4)0.046 (5)0.002 (3)0.008 (3)0.026 (4)
C110.032 (2)0.024 (2)0.027 (2)0.008 (2)0.008 (2)0.010 (2)
C120.031 (2)0.027 (2)0.026 (2)0.010 (2)0.011 (2)0.010 (2)
C130.041 (2)0.043 (3)0.029 (2)0.020 (2)0.010 (2)0.014 (2)
C140.033 (2)0.048 (3)0.035 (2)0.021 (2)0.009 (2)0.011 (2)
C150.035 (2)0.024 (2)0.028 (2)0.006 (2)0.015 (2)0.003 (2)
C160.032 (2)0.035 (2)0.024 (2)0.005 (2)0.005 (2)0.008 (2)
C170.028 (2)0.031 (2)0.030 (2)0.007 (2)0.006 (2)0.009 (2)
C180.041 (2)0.029 (2)0.032 (2)0.001 (2)0.015 (2)0.009 (2)
C190.030 (2)0.025 (2)0.025 (2)0.005 (2)0.012 (2)0.008 (2)
C200.026 (2)0.025 (2)0.026 (2)0.005 (2)0.010 (2)0.013 (2)
C210.019 (7)0.023 (5)0.027 (6)0.005 (4)0.007 (5)0.011 (4)
C220.022 (6)0.030 (6)0.036 (6)0.004 (4)0.007 (4)0.015 (4)
C230.019 (5)0.031 (5)0.038 (5)0.004 (4)0.011 (4)0.017 (4)
C240.019 (5)0.026 (5)0.041 (5)0.000 (4)0.010 (4)0.015 (4)
C260.030 (4)0.038 (5)0.049 (5)0.004 (4)0.004 (4)0.029 (4)
C250.023 (4)0.034 (4)0.038 (4)0.002 (3)0.002 (3)0.019 (4)
C270.014 (4)0.035 (6)0.034 (5)0.002 (4)0.004 (4)0.019 (4)
Geometric parameters (Å, º) top
Zn1—O12.116 (3)C12—C131.39
Zn1—O5i2.094 (3)C12—C171.39
Zn1—O62.149 (3)C13—C141.39
Zn1—O92.134 (3)C14—C151.39
Zn1—O9ii2.091 (3)C15—C161.39
Zn1—N12.141 (3)C16—C171.39
Zn1—Zn23.108 (1)C18—C191.528 (6)
Zn2—O21.946 (3)C20—C27iv1.49 (1)
Zn2—O71.941 (3)C20—C211.510 (9)
Zn2—O91.917 (3)C21—C221.39
Zn2—N2iii2.022 (3)C21—C251.39
O1—C111.243 (5)C22—C231.39
O2—C111.273 (5)C23—C241.39
O3—C151.368 (4)C24—C261.39
O3—C181.424 (6)C26—C251.39
O4—C191.244 (5)C27—C20iv1.49 (1)
O5—C191.245 (5)O9—H9o0.98
O6—C201.246 (5)O1w—H1w10.88
O7—C201.263 (5)O1w—H1w20.88
O8—C241.365 (8)C1—H10.93
O8—C271.432 (17)C2—H20.93
N1—C11.328 (7)C4—H40.93
N1—C1'1.333 (7)C5—H50.93
N1—C51.337 (7)C6—H60.93
N1—C5'1.342 (7)C7—H70.93
N2—C6'1.328 (7)C9—H90.93
N2—C10'1.334 (7)C10—H100.93
N2—C101.333 (7)C1'—H1'0.93
N2—C61.337 (7)C2'—H2'0.93
C1—C21.388 (8)C4'—H4'0.93
C2—C31.391 (8)C5'—H5'0.93
C3—C2'1.382 (8)C6'—H6'0.93
C3—C41.386 (8)C7'—H7'0.93
C3—C4'1.387 (8)C9'—H9'0.93
C3—C81.479 (5)C10'—H10'0.93
C4—C51.388 (9)C13—H130.93
C6—C71.389 (9)C14—H140.93
C7—C81.385 (8)C16—H160.93
C8—C7'1.378 (8)C17—H170.93
C8—C9'1.383 (9)C18—H18a0.97
C8—C91.38 (1)C18—H18b0.97
C9—C101.383 (9)C22—H220.93
C1'—C2'1.388 (8)C23—H230.93
C4'—C5'1.389 (9)C26—H260.93
C6'—C7'1.382 (9)C25—H250.93
C9'—C10'1.381 (9)C27—H27a0.97
C11—C121.497 (4)C27—H27b0.97
O1—Zn1—O5i86.4 (1)C16—C15—C14120.0
O1—Zn1—O687.0 (1)C17—C16—C15120.0
O1—Zn1—O997.2 (1)C16—C17—C12120.0
O1—Zn1—O9ii175.8 (1)O3—C18—C19114.5 (4)
O1—Zn1—N188.4 (1)O4—C19—O5127.3 (4)
O5i—Zn1—O6173.3 (1)O4—C19—C18115.5 (4)
O5i—Zn1—O990.0 (1)O5—C19—C18117.2 (4)
O5i—Zn1—O9ii97.6 (1)O6—C20—O7125.8 (4)
O5i—Zn1—N188.4 (1)O6—C20—C27iv110.9 (8)
O6—Zn1—O991.9 (1)O7—C20—C27iv123.2 (8)
O6—Zn1—O9ii89.1 (1)O6—C20—C21122.1 (5)
O9—Zn1—O9ii81.5 (1)O7—C20—C21112.0 (5)
O9—Zn1—N1174.1 (1)C22—C21—C25120.0
O9ii—Zn1—N193.1 (1)C22—C21—C20120.2 (6)
N1—Zn1—O690.4 (1)C25—C21—C20119.6 (6)
O2—Zn2—O7106.9 (2)C23—C22—C21120.0
O2—Zn2—O9112.9 (1)C22—C23—C24120.0
O2—Zn2—N2iii105.3 (1)O8—C24—C26115.8 (8)
O7—Zn2—O9110.5 (1)O8—C24—C23124.2 (8)
O7—Zn2—N2iii105.8 (1)C26—C24—C23120.0
O9—Zn2—N2iii114.9 (1)C24—C26—C25120.0
C11—O1—Zn1137.0 (3)C26—C25—C21120.0
C11—O2—Zn2119.6 (3)O8—C27—C20iv110 (1)
C15—O3—C18117.7 (3)Zn2—O9—H9o107.8
C19—O5—Zn1i126.3 (3)Zn1ii—O9—H9o107.8
C20—O6—Zn1138.5 (3)Zn1—O9—H9o107.8
C20—O7—Zn2118.9 (3)H1w1—O1w—H1w2103.0
C24—O8—C27117.3 (9)N1—C1—H1118.8
Zn1ii—O9—Zn198.5 (1)C2—C1—H1118.8
Zn1—O9—Zn2100.0 (1)C3—C2—H2119.9
Zn1ii—O9—Zn2132.02 (14)C1—C2—H2119.9
C1—N1—C5119.3 (8)C3—C4—H4119.2
C1'—N1—C5112.8 (8)C5—C4—H4119.2
C1—N1—C5'112.0 (8)N1—C5—H5119.7
C1'—N1—C5'116.4 (8)C4—C5—H5119.7
C1—N1—Zn1120.9 (5)N2—C6—H6118.0
C1'—N1—Zn1124.7 (5)C7—C6—H6118.0
C5—N1—Zn1119.4 (6)C6—C7—H7120.9
C5'—N1—Zn1118.6 (6)C8—C7—H7120.9
C6'—N2—C10'118.0 (9)C10—C9—H9119.8
C6'—N2—C10114.2 (9)C8—C9—H9119.8
C10'—N2—C6112.7 (8)N2—C10—H10118.9
C10—N2—C6117.4 (9)C9—C10—H10118.9
C6'—N2—Zn2v120.2 (6)N1—C1'—H1'118.2
C10'—N2—Zn2v121.8 (6)C2'—C1'—H1'118.2
C10—N2—Zn2v121.6 (6)C3—C2'—H2'120.5
C6—N2—Zn2v121.0 (7)C1'—C2'—H2'120.5
N1—C1—C2122 (1)C3—C4'—H4'121.2
C3—C2—C1120 (1)C5'—C4'—H4'121.2
C4—C3—C2115.9 (8)N1—C5'—H5'117.7
C2'—C3—C4'118.9 (8)C4'—C5'—H5'117.7
C2'—C3—C8122.2 (6)N2—C6'—H6'119.1
C4—C3—C8122.1 (6)C7'—C6'—H6'119.1
C2—C3—C8121.9 (6)C8—C7'—H7'119.5
C4'—C3—C8118.8 (6)C6'—C7'—H7'119.5
C3—C4—C5122 (1)C10'—C9'—H9'120.1
N1—C5—C4121 (1)C8—C9'—H9'120.1
N2—C6—C7124 (1)N2—C10'—H10'118.5
C6—C7—C8118 (1)C9'—C10'—H10'118.5
C7'—C8—C9'116.5 (9)C14—C13—H13120.0
C7—C8—C9117.8 (9)C12—C13—H13120.0
C7'—C8—C3122.3 (7)C13—C14—H14120.0
C9'—C8—C3121.2 (7)C15—C14—H14120.0
C7—C8—C3121.3 (7)C17—C16—H16120.0
C9—C8—C3120.9 (7)C15—C16—H16120.0
C10—C9—C8120 (1)C16—C17—H17120.0
N2—C10—C9122 (1)C12—C17—H17120.0
N1—C1'—C2'124 (1)O3—C18—H18a108.6
C3—C2'—C1'119 (1)C19—C18—H18a108.6
C3—C4'—C5'118 (1)O3—C18—H18b108.6
N1—C5'—C4'125 (1)C19—C18—H18b108.6
N2—C6'—C7'122 (1)H18a—C18—H18b107.6
C8—C7'—C6'121 (1)C23—C22—H22120.0
C10'—C9'—C8120 (1)C21—C22—H22120.0
N2—C10'—C9'123 (1)C22—C23—H23120.0
O1—C11—O2125.0 (4)C24—C23—H23120.0
O1—C11—C12118.7 (3)C24—C26—H26120.0
O2—C11—C12116.2 (3)C25—C26—H26120.0
C13—C12—C17120.0C26—C25—H25120.0
C13—C12—C11119.4 (2)C21—C25—H25120.0
C17—C12—C11119.9 (2)O8—C27—H27a109.7
C14—C13—C12120.0C20iv—C27—H27a109.7
C13—C14—C15120.0O8—C27—H27b109.7
O3—C15—C16125.0 (2)C20iv—C27—H27b109.7
O3—C15—C14114.8 (2)H27a—C27—H27b108.2
O5i—Zn1—O1—C11116.3 (5)C4—C3—C8—C7137.4 (6)
O9—Zn1—O1—C1126.8 (5)C2—C3—C8—C743.7 (7)
N1—Zn1—O1—C11155.3 (5)C4—C3—C8—C944.3 (8)
O6—Zn1—O1—C1164.8 (5)C2—C3—C8—C9134.5 (6)
O9—Zn2—O2—C1149.7 (4)C7—C8—C9—C100.2 (8)
O7—Zn2—O2—C1172.0 (4)C3—C8—C9—C10178.6 (5)
N2iii—Zn2—O2—C11175.8 (3)C6—N2—C10—C90.0 (7)
O9ii—Zn1—O6—C2099.0 (4)Zn2v—N2—C10—C9179.6 (5)
O1—Zn1—O6—C2079.5 (4)C8—C9—C10—N20.1 (9)
O9—Zn1—O6—C2017.5 (4)C5'—N1—C1'—C2'0.2 (3)
N1—Zn1—O6—C20167.9 (4)Zn1—N1—C1'—C2'173.4 (3)
O9—Zn2—O7—C2040.4 (3)C4'—C3—C2'—C1'0.8 (6)
O2—Zn2—O7—C2082.8 (3)C8—C3—C2'—C1'177.7 (4)
N2iii—Zn2—O7—C20165.3 (3)N1—C1'—C2'—C30.3 (3)
O7—Zn2—O9—Zn1ii47.5 (2)C2'—C3—C4'—C5'0.8 (8)
O2—Zn2—O9—Zn1ii167.1 (2)C1'—N1—C5'—C4'0.2 (7)
N2iii—Zn2—O9—Zn1ii72.1 (2)Zn1—N1—C5'—C4'173.8 (5)
O7—Zn2—O9—Zn163.8 (2)C3—C4'—C5'—N10.2 (9)
O2—Zn2—O9—Zn155.8 (2)C10'—N2—C6'—C7'0.5 (3)
N2iii—Zn2—O9—Zn1176.6 (1)Zn2v—N2—C6'—C7'178.9 (3)
O9ii—Zn1—O9—Zn2135.6 (2)C9'—C8—C7'—C6'1.8 (6)
O5i—Zn1—O9—Zn2126.8 (1)C3—C8—C7'—C6'177.9 (4)
O1—Zn1—O9—Zn240.5 (1)N2—C6'—C7'—C80.7 (3)
O6—Zn1—O9—Zn246.8 (1)C7'—C8—C9'—C10'1.6 (8)
O9ii—Zn1—O9—Zn1ii0.0C3—C8—C9'—C10'178.0 (5)
O5i—Zn1—O9—Zn1ii97.7 (1)C6'—N2—C10'—C9'0.7 (7)
O1—Zn1—O9—Zn1ii176.0 (1)Zn2v—N2—C10'—C9'179.1 (5)
O6—Zn1—O9—Zn1ii88.8 (1)C8—C9'—C10'—N20.4 (9)
O9ii—Zn1—N1—C148.7 (4)Zn1—O1—C11—O215.2 (7)
O5i—Zn1—N1—C1146.2 (4)Zn1—O1—C11—C12162.8 (3)
O1—Zn1—N1—C1127.4 (4)Zn2—O2—C11—O122.5 (6)
O6—Zn1—N1—C140.4 (4)Zn2—O2—C11—C12155.5 (3)
O9ii—Zn1—N1—C1'76.4 (4)O1—C11—C12—C13172.9 (3)
O5i—Zn1—N1—C1'173.9 (4)O2—C11—C12—C135.2 (5)
O1—Zn1—N1—C1'99.7 (4)O1—C11—C12—C172.4 (5)
O6—Zn1—N1—C1'12.7 (4)O2—C11—C12—C17175.8 (3)
O9ii—Zn1—N1—C5124.9 (4)C11—C12—C13—C14170.5 (3)
O5i—Zn1—N1—C527.4 (4)C18—O3—C15—C164.6 (5)
O1—Zn1—N1—C559.0 (4)C18—O3—C15—C14179.6 (3)
O6—Zn1—N1—C5146.0 (4)C13—C14—C15—O3175.2 (3)
O9ii—Zn1—N1—C5'96.7 (4)O3—C15—C16—C17174.7 (3)
O5i—Zn1—N1—C5'0.8 (4)C11—C12—C17—C16170.5 (3)
O1—Zn1—N1—C5'87.2 (4)C15—O3—C18—C1975.3 (5)
O6—Zn1—N1—C5'174.2 (4)Zn1i—O5—C19—O421.3 (6)
C1'—N1—C1—C280 (2)Zn1i—O5—C19—C18161.4 (3)
C5—N1—C1—C20.4 (3)O3—C18—C19—O4155.8 (4)
C5'—N1—C1—C225.7 (6)O3—C18—C19—O526.6 (6)
Zn1—N1—C1—C2173.2 (3)Zn1—O6—C20—O713.4 (7)
N1—C1—C2—C30.9 (3)Zn1—O6—C20—C27iv165.8 (7)
C1—C2—C3—C42.2 (6)Zn1—O6—C20—C21167.1 (6)
C1—C2—C3—C8176.7 (4)Zn2—O7—C20—O63.1 (6)
C2—C3—C4—C52.3 (8)Zn2—O7—C20—C27iv176.0 (8)
C8—C3—C4—C5176.6 (5)Zn2—O7—C20—C21177.4 (5)
C1—N1—C5—C40.3 (7)O6—C20—C21—C22177.2 (5)
Zn1—N1—C5—C4173.4 (5)O7—C20—C21—C222.4 (8)
C3—C4—C5—N11.1 (9)C27iv—C20—C21—C22176 (5)
C10—N2—C6—C70.0 (3)O6—C20—C21—C258.0 (9)
Zn2v—N2—C6—C7179.6 (3)O7—C20—C21—C25172.5 (5)
N2—C6—C7—C80.1 (3)C27iv—C20—C21—C251 (5)
C6—C7—C8—C90.2 (6)C20—C21—C22—C23174.8 (9)
C6—C7—C8—C3178.5 (4)C27—O8—C24—C26173 (1)
C4—C3—C8—C7'161.5 (6)C27—O8—C24—C235 (1)
C2—C3—C8—C7'19.7 (7)C22—C23—C24—O8178 (1)
C4'—C3—C8—C7'169.5 (6)O8—C24—C26—C25178 (1)
C2'—C3—C8—C9'173.1 (6)C20—C21—C25—C26174.9 (9)
C4'—C3—C8—C9'10.1 (8)C24—O8—C27—C20iv175 (1)
Symmetry codes: (i) x+1, y, z+1; (ii) x+1, y+1, z+2; (iii) x+1, y, z+1; (iv) x+2, y+2, z+2; (v) x1, y, z1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O9—H9o···O4i0.981.832.701 (4)147
O1w—H1w1···O40.881.922.798 (9)176
O1w—H1w2···O4vi0.882.022.902 (9)176
Symmetry codes: (i) x+1, y, z+1; (vi) x+1, y, z.
 

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