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Information card for entry 2204253
Preview
Coordinates | 2204253.cif |
---|---|
Structure factors | 2204253.hkl |
Original IUCr paper | HTML |
Chemical name | {4-Chloro-2'-[1-(5-chloro-2-oxidophenyl)ethylidene- κ^3^O,N^2'^,O']benzhydrazido}tris(pyridine-κN)nickel(II) pyridine solvate |
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Formula | C35 H30 Cl2 N6 Ni O2 |
Calculated formula | C35 H30 Cl2 N6 Ni O2 |
SMILES | [Ni]12(OC(=N[N]2=C(C)c2c(O1)ccc(Cl)c2)c1ccc(Cl)cc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.n1ccccc1 |
Title of publication | {4-Chloro-2'-[1-(5-chloro-2-oxidophenyl)ethylidene-κ^3^<i>O,N</i>^2'^,<i>O</i>']benzhydrazido}tris(pyridine-κ<i>N</i>)nickel(II) pyridine solvate |
Authors of publication | Ali, Hapipah; Khamis, Nur Ashikin; Basirun, W. Jefri; Yamin, Bohari M. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 9 |
Pages of publication | m1351 - m1352 |
a | 12.6009 ± 0.0017 Å |
b | 20.845 ± 0.003 Å |
c | 12.6417 ± 0.0017 Å |
α | 90° |
β | 90.418 ± 0.003° |
γ | 90° |
Cell volume | 3320.5 ± 0.8 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.095 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.127 |
Weighted residual factors for all reflections included in the refinement | 0.141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
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/2204253.html
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