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Information card for entry 2234874
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| Coordinates | 2234874.cif |
|---|---|
| Structure factors | 2234874.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[di-μ~9~-citrato-cobalt(II)tetrasodium] |
|---|---|
| Formula | C12 H10 Co Na4 O14 |
| Calculated formula | C12 H10 Co Na4 O14 |
| SMILES | O1[Co]234([OH]C(CC(=O)O2)(CC(=O)[O-])C1=[O])[OH]C(CC(=O)O3)(CC(=O)[O-])C(O4)=O.[Na+].[Na+].[Na+].[Na+] |
| Title of publication | Poly[di-μ~9~-citrato-cobalt(II)tetrasodium] |
| Authors of publication | Liu, Zhen; Tian, Ruijing; Mao, Rui; Cao, Xueyin; Wang, Fuxiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m679 - m680 |
| a | 7.9792 ± 0.0016 Å |
| b | 12.516 ± 0.003 Å |
| c | 8.711 ± 0.0017 Å |
| α | 90° |
| β | 113.84 ± 0.03° |
| γ | 90° |
| Cell volume | 795.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0595 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0677 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181270 (current) | 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 2/23/48. |
2234874.cif 2234874.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. |
2234874.cif 2234874.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234874.cif 2234874.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. | 2234874.cif 2234874.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234874.cif 2234874.hkl |
| 60380 | 2012-06-14 | cif/ Adding structures of 2234874 via cif-deposit CGI script. |
2234874.cif |
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Users of the data should acknowledge the original authors of the
structural data.