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Information card for entry 2237354
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| Coordinates | 2237354.cif |
|---|---|
| Structure factors | 2237354.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-4-(4-carboxyphenoxy)phthalato]bis[triaquacobalt(II)] |
|---|---|
| Formula | C30 H28 Co2 O20 |
| Calculated formula | C30 H28 Co2 O20 |
| SMILES | c12c(cc(cc1)Oc1ccc(cc1)C(=O)O)C(=O)O[Co]1([OH2])([OH2])([OH2])[O]=C2O[Co]2(OC(=O)c3c(ccc(c3)Oc3ccc(cc3)C(=O)O)C(=[O]2)O1)([OH2])([OH2])[OH2] |
| Title of publication | Bis[μ-4-(4-carboxyphenoxy)phthalato]bis[triaquacobalt(II)] |
| Authors of publication | Wang, Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | m101 |
| a | 14.451 ± 0.011 Å |
| b | 9.558 ± 0.007 Å |
| c | 11.404 ± 0.009 Å |
| α | 90° |
| β | 92.749 ± 0.015° |
| γ | 90° |
| Cell volume | 1573 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.141 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.895 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181295 (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 2/23/73. |
2237354.cif 2237354.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. |
2237354.cif 2237354.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. | 2237354.cif 2237354.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237354.cif 2237354.hkl |
| 75369 | 2013-03-09 | cif/ Adding structures of 2237354 via cif-deposit CGI script. |
2237354.cif |
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Users of the data should acknowledge the original authors of the
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