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Information card for entry 7016902
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Coordinates | 7016902.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Co(II)(NCSe)2(DDE)2] |
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Chemical name | [Co(II)(NCSe)2(DDE)2] |
Formula | C44 H56 Co N18 Se2 |
Calculated formula | C44 H56 Co N18 Se2 |
Title of publication | A temperature-dependent order-disorder and crystallographic phase transition in a 0D Fe(ii) spin crossover compound and its non-spin crossover Co(ii) isomorph. |
Authors of publication | Ross, Tamsyn M.; Moubaraki, Boujemaa; Wallwork, Kia S.; Batten, Stuart R.; Murray, Keith S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 39 |
Pages of publication | 10147 - 10155 |
a | 20.995 ± 0.004 Å |
b | 13.655 ± 0.003 Å |
c | 17.347 ± 0.004 Å |
α | 90° |
β | 91.91 ± 0.03° |
γ | 90° |
Cell volume | 4970.4 ± 1.8 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.33 |
Residual factor for significantly intense reflections | 0.0966 |
Weighted residual factors for significantly intense reflections | 0.1817 |
Weighted residual factors for all reflections included in the refinement | 0.2851 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7016902.html
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