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Information card for entry 2233503
Preview
| Coordinates | 2233503.cif |
|---|---|
| Structure factors | 2233503.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{2,2'-[(2-aminoethyl)azanediyl]diethanaminium} di-μ-sulfido-bis(disulfidogermanate) |
|---|---|
| Formula | C12 H40 Ge2 N8 S6 |
| Calculated formula | C12 H40 Ge2 N8 S6 |
| SMILES | C(C[NH3+])N(CC[NH3+])CCN.[S-][Ge]1([S-])S[Ge](S1)([S-])[S-].C(C[NH3+])N(CCN)CC[NH3+] |
| Title of publication | Bis{2,2'-[(2-aminoethyl)azanediyl]diethanaminium} di-μ-sulfido-bis(disulfidogermanate) |
| Authors of publication | Xu, Chao; Zhang, Jing-Jing; Duan, Taike; Chen, Qun; Zhang, Qian-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m154 |
| a | 25.2845 ± 0.0017 Å |
| b | 7.3173 ± 0.0004 Å |
| c | 16.6001 ± 0.0009 Å |
| α | 90° |
| β | 122.637 ± 0.004° |
| γ | 90° |
| Cell volume | 2586.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233503.cif 2233503.hkl |
| 181257 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/35. |
2233503.cif 2233503.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233503.cif 2233503.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233503.cif 2233503.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233503.cif 2233503.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233503.cif 2233503.hkl |
| 38299 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233503 via cif-deposit CGI script. |
2233503.cif |
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Users of the data should acknowledge the original authors of the
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