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Information card for entry 2011231
Preview
Coordinates | 2011231.cif |
---|---|
Structure factors | 2011231.hkl |
Original IUCr paper | HTML |
Chemical name | [2,6-diacetylpyridine bis(S-methylisothiosemicarbazone)]iodonickel(II) |
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Formula | C13 H18 I N7 Ni S2 |
Calculated formula | C13 H18 I N7 Ni S2 |
SMILES | [I-].[Ni]123[n]4c(C(=N[N]3=C(SC)N)C)cccc4C(=[N]1N=C(SC)N2)C |
Title of publication | Transition metal complexes with thiosemicarbazide-based ligands. XV. A square-pyramidal Ni^<b>II^</b> complex with an asymmetric coordination of 2,6-diacetylpyridine bis(<i>S</i>-methylisothiosemicarbazone) |
Authors of publication | Leovac, Vukadin M.; Bogdanović, Goran A.; Češljević, Valerija I.; Divjaković, Vladimir |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2000 |
Journal volume | 56 |
Journal issue | 8 |
Pages of publication | 936 - 938 |
a | 7.713 ± 0.002 Å |
b | 10.653 ± 0.003 Å |
c | 12.535 ± 0.003 Å |
α | 108.08 ± 0.05° |
β | 101.01 ± 0.04° |
γ | 101.51 ± 0.06° |
Cell volume | 923.4 ± 0.6 Å3 |
Cell temperature | 293 ± 3 K |
Ambient diffraction temperature | 293 ± 3 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 | 0.0338 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for all reflections | 0.0733 |
Weighted residual factors for all reflections included in the refinement | 0.0701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.356 |
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/2011231.html
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Users of the data should acknowledge the original authors of the
structural data.