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Information card for entry 2240008
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| Coordinates | 2240008.cif |
|---|---|
| Structure factors | 2240008.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(5-chloro-9,10-anthraquinone-1-carboxylato-κ<i>O</i>)tetraaquacobalt(II) dihydrate |
|---|---|
| Formula | C30 H24 Cl2 Co O14 |
| Calculated formula | C30 H24 Cl2 Co O14 |
| SMILES | c1(cccc2C(=O)c3c(cccc3C(=O)c12)Cl)C(=O)O[Co]([OH2])(OC(=O)c1cccc2C(=O)c3c(cccc3C(=O)c12)Cl)([OH2])([OH2])[OH2].O.O |
| Title of publication | Crystal structure of bis(5-chloro-9,10-anthraquinone-1-carboxylato-κ<i>O</i>)tetraaquacobalt(II) dihydrate |
| Authors of publication | Cai, Wen-Juan; Liu, Bo; Liu, Feng-Yi; Kou, Jun-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | m357 - m358 |
| a | 6.8655 ± 0.0014 Å |
| b | 8.1623 ± 0.0016 Å |
| c | 14.285 ± 0.003 Å |
| α | 73.97 ± 0.03° |
| β | 88.86 ± 0.03° |
| γ | 73.35 ± 0.03° |
| Cell volume | 735.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0841 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240008.cif 2240008.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240008.cif 2240008.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240008.cif 2240008.hkl |
| 124354 | 2014-09-28 | cif/ hkl/ Adding structures of 2240008 via cif-deposit CGI script. |
2240008.cif 2240008.hkl |
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