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Information card for entry 2235813
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| Coordinates | 2235813.cif |
|---|---|
| Structure factors | 2235813.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[3,3'-(piperazine-1,4-diyl)dipropanaminium] di-μ~2~-sulfido-bis[disulfidogermanate(IV)] |
|---|---|
| Formula | C20 H52 Ge2 N8 S6 |
| Calculated formula | C20 H52 Ge2 N8 S6 |
| SMILES | C1CN(CCN1CCC[NH3+])CCC[NH3+].S1[Ge]([S-])([S-])S[Ge]1([S-])[S-].C1CN(CCN1CCC[NH3+])CCC[NH3+] |
| Title of publication | Bis[3,3'-(piperazine-1,4-diyl)dipropanaminium] di-μ~2~-sulfido-bis[disulfidogermanate(IV)] |
| Authors of publication | Wang, Nian-Nian; Xu, Chao; Duan, Taike; Chen, Qun; Zhang, Qian-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1046 |
| a | 12.0111 ± 0.0004 Å |
| b | 7.7759 ± 0.0003 Å |
| c | 18.9777 ± 0.0007 Å |
| α | 90° |
| β | 103.569 ± 0.001° |
| γ | 90° |
| Cell volume | 1722.99 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0506 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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. |
2235813.cif 2235813.hkl |
| 181280 | 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 2/23/58. |
2235813.cif 2235813.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. |
2235813.cif 2235813.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235813.cif 2235813.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. | 2235813.cif 2235813.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235813.cif 2235813.hkl |
| 65842 | 2012-09-06 | cif/ Adding structures of 2235813 via cif-deposit CGI script. |
2235813.cif |
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Users of the data should acknowledge the original authors of the
structural data.