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Information card for entry 2019485
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| Coordinates | 2019485.cif |
|---|---|
| Structure factors | 2019485.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[dichloridocobalt(II)]-μ-(1,1'-dimethyl-4,4'-bipyrazole-κ^2^<i>N</i>^2^:<i>N</i>^2'^)] |
|---|---|
| Formula | C8 H10 Cl2 Co N4 |
| Calculated formula | C8 H10 Cl2 Co N4 |
| SMILES | [Co](Cl)(Cl)[n]1n(C)cc(c1)c1cn(C)[n](c1)[Co](Cl)(Cl)[n]1n(C)cc(c1)c1cn(C)nc1 |
| Title of publication | Cobalt(II) chloride complexes with 1,1'-dimethyl-4,4'-bipyrazole featuring first- and second-sphere coordination of the ligand |
| Authors of publication | Domasevitch, Konstantin V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | 272 - 276 |
| a | 8.8762 ± 0.0008 Å |
| b | 14.2372 ± 0.0014 Å |
| c | 9.5878 ± 0.0009 Å |
| α | 90° |
| β | 104.964 ± 0.002° |
| γ | 90° |
| Cell volume | 1170.54 ± 0.19 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019485.cif 2019485.hkl |
| 180862 | 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 2/01/94. |
2019485.cif 2019485.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. |
2019485.cif 2019485.hkl |
| 110636 | 2014-04-19 | cif/ hkl/ Adding structures of 2019485, 2019486 via cif-deposit CGI script. |
2019485.cif 2019485.hkl |
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