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Information card for entry 2237230
Preview
| Coordinates | 2237230.cif |
|---|---|
| Structure factors | 2237230.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2,2,7,7,12,12,17,17-Octamethyl-21,22,23,24-tetrathia-2,7,12,17- tetragermapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosa- 3,5,8,10,13,15,18,20-octaene |
|---|---|
| Formula | C24 H32 Ge4 S4 |
| Calculated formula | C24 H32 Ge4 S4 |
| SMILES | C[Ge]1(c2ccc(s2)[Ge](C)(C)c2sc(cc2)[Ge](C)(C)c2ccc(s2)[Ge](C)(C)c2sc1cc2)C |
| Title of publication | 2,2,7,7,12,12,17,17-Octamethyl-21,22,23,24-tetrathia-2,7,12,17-tetragermapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosa-3,5,8,10,13,15,18,20-octaene |
| Authors of publication | Carel, Guillaume; Mallet-Ladeira, Sonia; Rima, Ghassoub; Madec, David; Castel, Annie |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m37 |
| a | 6.6211 ± 0.0004 Å |
| b | 12.6668 ± 0.0007 Å |
| c | 18.3413 ± 0.0011 Å |
| α | 90° |
| β | 90.698 ± 0.004° |
| γ | 90° |
| Cell volume | 1538.14 ± 0.16 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0568 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0568 |
| Weighted residual factors for all reflections included in the refinement | 0.0643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
2237230.cif 2237230.hkl |
| 181294 | 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 2/23/72. |
2237230.cif 2237230.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. |
2237230.cif 2237230.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237230.cif 2237230.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. | 2237230.cif 2237230.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237230.cif 2237230.hkl |
| 73459 | 2013-02-20 | cif/ Adding structures of 2237230 via cif-deposit CGI script. |
2237230.cif |
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Users of the data should acknowledge the original authors of the
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