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Information card for entry 7202568
Preview
Coordinates | 7202568.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H40 N6 O20 Zn3 |
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Calculated formula | C36 H40 N6 O20 Zn3 |
SMILES | O1[Zn]2([O]=C(O[Zn]34([O]=C(c5c(C)noc5C)O2)([O]=C(c2c(C)noc2C)O[Zn]([O]=C(c2c(noc2C)C)O3)(OC(=[O]4)c2c(noc2C)C)[OH2])[O]=C1c1c(noc1C)C)c1c(noc1C)C)[OH2] |
Title of publication | Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions |
Authors of publication | Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng |
Journal of publication | CrystEngComm |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 1 |
Pages of publication | 35 |
a | 10.122 ± 0.007 Å |
b | 10.124 ± 0.007 Å |
c | 11.446 ± 0.008 Å |
α | 88.961 ± 0.009° |
β | 69.655 ± 0.009° |
γ | 89.692 ± 0.009° |
Cell volume | 1099.6 ± 1.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0327 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0847 |
Weighted residual factors for all reflections included in the refinement | 0.0864 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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