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Information card for entry 2018930
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| Coordinates | 2018930.cif |
|---|---|
| Structure factors | 2018930.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>mer</i>-μ-Oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate |
|---|---|
| Formula | C42 H40 Cl2 Co2 N8 O4 |
| Calculated formula | C42 H40 Cl2 Co2 N8 O4 |
| SMILES | [n]1(ccccc1)[Co]1([n]2ccccc2)([O]=C2C(=[O][Co]([n]3ccccc3)([n]3ccccc3)([n]3ccccc3)(O2)Cl)O1)(Cl)[n]1ccccc1.n1ccccc1.n1ccccc1 |
| Title of publication | Polymorphism of <i>mer</i>-μ-oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate |
| Authors of publication | Modec, Barbara |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | 340 - 343 |
| a | 9.6402 ± 0.0007 Å |
| b | 9.9899 ± 0.0007 Å |
| c | 10.7775 ± 0.0007 Å |
| α | 78.834 ± 0.001° |
| β | 82.856 ± 0.001° |
| γ | 89.704 ± 0.001° |
| Cell volume | 1010.18 ± 0.12 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89. |
2018930.cif 2018930.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018930.cif 2018930.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018930.cif 2018930.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018930.cif 2018930.hkl |
| 85462 | 2013-05-07 | cif/ Adding structures of 2018930 via cif-deposit CGI script. |
2018930.cif |
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Users of the data should acknowledge the original authors of the
structural data.