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Information card for entry 7215654
Preview
| Coordinates | 7215654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H41 Co Ge2 N9 S6 |
|---|---|
| Calculated formula | C12 H41 Co Ge2 N9 S6 |
| Title of publication | Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks |
| Authors of publication | Lichte, Jessica; Näther, Christian; Bensch, Wolfgang |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 25 |
| Pages of publication | 5551 |
| a | 11.3224 ± 0.0003 Å |
| b | 14.6492 ± 0.0004 Å |
| c | 18.371 ± 0.0005 Å |
| α | 71 ± 0.002° |
| β | 78.352 ± 0.002° |
| γ | 73.441 ± 0.002° |
| Cell volume | 2741.51 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0545 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215654.cif |
| 180487 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/56. |
7215654.cif |
| 116160 | 2014-06-07 | cif/ Updating files of 7215654, 7215655, 7215656, 7215657 Original log message: Adding full bibliography for 7215654--7215657.cif. |
7215654.cif |
| 112653 | 2014-05-03 | cif/ Adding structures of 7215654, 7215655, 7215656, 7215657 via cif-deposit CGI script. |
7215654.cif |
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Users of the data should acknowledge the original authors of the
structural data.