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Information card for entry 2019622
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| Coordinates | 2019622.cif |
|---|---|
| Structure factors | 2019622.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate |
|---|---|
| Formula | C30.5 H25 Cl3 Co N4 |
| Calculated formula | C30.5 H25 Cl3 Co N4 |
| SMILES | c1ccccc1c1cc([nH][n]1[Co]([n]1[nH]c(c2ccccc2)cc1c1ccccc1)(Cl)Cl)c1ccccc1.C(Cl)Cl |
| Title of publication | Packing forces in dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate |
| Authors of publication | Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| a | 13.798 ± 0.0009 Å |
| b | 20.8958 ± 0.0016 Å |
| c | 19.2954 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5563.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections included in the refinement | 0.0609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019622.cif 2019622.hkl |
| 180864 | 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 2/01/96. |
2019622.cif 2019622.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2019622.cif 2019622.hkl |
| 120610 | 2014-07-20 | cif/ hkl/ Adding structures of 2019622 via cif-deposit CGI script. |
2019622.cif 2019622.hkl |
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Users of the data should acknowledge the original authors of the
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