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Information card for entry 7032791
Preview
| Coordinates | 7032791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H22 N Ni S10 |
|---|---|
| Calculated formula | C19 H22 N Ni S10 |
| Title of publication | Five types of odd-even effect and crystal structure changes brought about by ω-phenylalkyl group in [Ni(dmit)2] complex salts. |
| Authors of publication | Saeki, Masahiro; Dai, Kotaro; Ichimura, Shuhei; Tamaki, Yoshinori; Tomono, Kazuaki; Miyamura, Kazuo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 45 |
| Pages of publication | 17067 - 17074 |
| a | 12.264 ± 0.0006 Å |
| b | 8.1996 ± 0.0004 Å |
| c | 26.7128 ± 0.0013 Å |
| α | 90° |
| β | 102.907 ± 0.001° |
| γ | 90° |
| Cell volume | 2618.4 ± 0.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032791.cif |
| 180033 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/27. |
7032791.cif |
| 126423 | 2014-11-06 | cif/ Updating files of 7032789, 7032790, 7032791, 7032792 Original log message: Adding full bibliography for 7032789--7032792.cif. |
7032791.cif |
| 125261 | 2014-10-11 | cif/ Adding structures of 7032789, 7032790, 7032791, 7032792 via cif-deposit CGI script. |
7032791.cif |
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Users of the data should acknowledge the original authors of the
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