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Information card for entry 2242309
Preview
Coordinates | 2242309.cif |
---|---|
Structure factors | 2242309.hkl |
Original IUCr paper | HTML |
Chemical name | Tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate |
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Formula | C26 H26 Co N10 O S6 |
Calculated formula | C26 H26 Co N10 O S6 |
SMILES | [Co](N=C=S)(N=C=S)([n]1ccc(cc1)C(=S)N)([n]1ccc(cc1)C(=S)N)([n]1ccc(cc1)C(=S)N)[n]1ccc(cc1)C(=S)N.O |
Title of publication | Crystal structures of tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II) |
Authors of publication | Neumann, Tristan; Jess, Inke; Näther, Christian |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 2 |
Pages of publication | 141 - 146 |
a | 10.9256 ± 0.0002 Å |
b | 12.9595 ± 0.0006 Å |
c | 24.1116 ± 0.0006 Å |
α | 90° |
β | 100.763 ± 0.002° |
γ | 90° |
Cell volume | 3353.91 ± 0.19 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.045 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0748 |
Weighted residual factors for all reflections included in the refinement | 0.0782 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/2242309.html
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