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Information card for entry 7215656
Preview
| Coordinates | 7215656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H41 Co Ge2 N9 S6 |
|---|---|
| Calculated formula | C12 H41 Co Ge2 N9 S6 |
| SMILES | [Ge]1([S-])([S-])S[Ge](S1)([S-])[S-].[Co]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4.[NH3+]CC[NH2+]CCN |
| 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 | 15.211 ± 0.0003 Å |
| b | 16.7025 ± 0.0004 Å |
| c | 21.8821 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5559.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7215656.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. |
7215656.cif |
| 116160 | 2014-06-07 | cif/ Updating files of 7215654, 7215655, 7215656, 7215657 Original log message: Adding full bibliography for 7215654--7215657.cif. |
7215656.cif |
| 112653 | 2014-05-03 | cif/ Adding structures of 7215654, 7215655, 7215656, 7215657 via cif-deposit CGI script. |
7215656.cif |
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Users of the data should acknowledge the original authors of the
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