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Information card for entry 2240472
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| Coordinates | 2240472.cif |
|---|---|
| Structure factors | 2240472.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{2,6-bis[(3-phenyl-1<i>H</i>-pyrazol-1-yl)methyl]pyridine}cobalt(II) |
|---|---|
| Formula | C25 H21 Cl2 Co N5 |
| Calculated formula | C25 H21 Cl2 Co N5 |
| SMILES | [Co]1(Cl)(Cl)[n]2n(ccc2c2ccccc2)Cc2[n]1c(ccc2)Cn1ccc(n1)c1ccccc1 |
| Title of publication | Crystal structure of dichlorido{2,6-bis[(3-phenyl-1<i>H</i>-pyrazol-1-yl)methyl]pyridine}cobalt(II) |
| Authors of publication | Son, Kyung-sun; Woo, Jeong Oh; Kim, Daeyoung; Kang, Sung Kwon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | m75 - m76 |
| a | 12.9766 ± 0.0004 Å |
| b | 10.5867 ± 0.0003 Å |
| c | 33.5943 ± 0.0009 Å |
| α | 90° |
| β | 93.2592 ± 0.0019° |
| γ | 90° |
| Cell volume | 4607.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.101 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for all reflections included in the refinement | 0.1318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240472.cif 2240472.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240472.cif 2240472.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240472.cif 2240472.hkl |
| 132703 | 2015-03-04 | cif/ hkl/ Adding structures of 2240472 via cif-deposit CGI script. |
2240472.cif 2240472.hkl |
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Users of the data should acknowledge the original authors of the
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