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Information card for entry 2228537
Preview
Coordinates | 2228537.cif |
---|---|
Structure factors | 2228537.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[aquatris(pyridine-κ<i>N</i>)nickel(II)]- μ-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] pyridine monosolvate] |
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Formula | C56 H44 Cl8 N8 Ni2 O10 |
Calculated formula | C56 H44 Cl8 N8 Ni2 O10 |
SMILES | [Ni](OC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)[O-])(OC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)O[Ni]([OH2])([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([OH2])([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.n1ccccc1.n1ccccc1 |
Title of publication | <i>catena</i>-Poly[[[aquatris(pyridine-κ<i>N</i>)nickel(II)]-μ-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] pyridine monosolvate] |
Authors of publication | Zheng, Chang-Ge; Zhang, Pei-Pei; Zhang, Peng; Li, Song |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | m1618 |
a | 8.6148 ± 0.0006 Å |
b | 17.6879 ± 0.001 Å |
c | 21.0617 ± 0.001 Å |
α | 68.279 ± 0.005° |
β | 79.75 ± 0.006° |
γ | 84.853 ± 0.006° |
Cell volume | 2932.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1183 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.1318 |
Weighted residual factors for all reflections included in the refinement | 0.1512 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2228537.html
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