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Information card for entry 2234072
Preview
| Coordinates | 2234072.cif |
|---|---|
| Structure factors | 2234072.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (2,2'-Bipyridine-6,6'-dicarboxylato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)rhodium(III) |
|---|---|
| Formula | C24 H13 N4 O8 Rh |
| Calculated formula | C24 H13 N4 O8 Rh |
| SMILES | [Rh]1234([n]5c(c6[n]1c(ccc6)C(=O)O)cccc5C(=O)O3)OC(=O)c1[n]2c(c2[n]4c(C(=O)[O-])ccc2)ccc1 |
| Title of publication | (2,2'-Bipyridine-6,6'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)rhodium(III) |
| Authors of publication | Wang, Huimin; Gu, Xiaojun; Zhang, Bingbing; Su, Haiquan; Hu, Ming |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m290 - m291 |
| a | 9.3308 ± 0.0004 Å |
| b | 13.6186 ± 0.0006 Å |
| c | 16.9974 ± 0.0008 Å |
| α | 90° |
| β | 100.696 ± 0.001° |
| γ | 90° |
| Cell volume | 2122.37 ± 0.16 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 | 0.0268 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
2234072.cif 2234072.hkl |
| 181262 | 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 2/23/40. |
2234072.cif 2234072.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. |
2234072.cif 2234072.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234072.cif 2234072.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. | 2234072.cif 2234072.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234072.cif 2234072.hkl |
| 51339 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2234072 via cif-deposit CGI script. |
2234072.cif |
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Users of the data should acknowledge the original authors of the
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