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Information card for entry 2231734
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| Coordinates | 2231734.cif |
|---|---|
| Structure factors | 2231734.hkl |
| Original IUCr paper | HTML |
| Common name | Dichloridotetrakis(diniconazole)cobalt(II) |
|---|---|
| Chemical name | Dichloridotetrakis[(<i>E</i>)-(<i>RS</i>)-1-(2,4-dichlorophenyl)-4,4- dimethyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)pent-1-en-3-ol]cobalt(II) |
| Formula | C60 H68 Cl10 Co N12 O4 |
| Calculated formula | C60 H68 Cl10 Co N12 O4 |
| SMILES | c1(ccc(c(c1)Cl)/C=C(\[C@H](O)C(C)(C)C)n1nc[n](c1)[Co]([n]1cnn(/C(=C/c2c(cc(cc2)Cl)Cl)[C@@H](O)C(C)(C)C)c1)([n]1cnn(c1)/C(=C/c1c(cc(cc1)Cl)Cl)[C@H](O)C(C)(C)C)([n]1cnn(c1)C(=C\c1c(cc(cc1)Cl)Cl)\[C@@H](O)C(C)(C)C)(Cl)Cl)Cl |
| Title of publication | Dichloridotetrakis(diniconazole)cobalt(II) |
| Authors of publication | Liu, Chang-Xiang; Song, Xiu-Ying; Liu, Qian; Nie, Xu-Liang; Wen, Shi-He |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1214 |
| a | 8.8 ± 0.002 Å |
| b | 13.729 ± 0.004 Å |
| c | 15.145 ± 0.004 Å |
| α | 90.918 ± 0.003° |
| β | 98.56 ± 0.003° |
| γ | 106.775 ± 0.003° |
| Cell volume | 1729 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0725 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181239 (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 2/23/17. |
2231734.cif 2231734.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. |
2231734.cif 2231734.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231734.cif 2231734.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. | 2231734.cif 2231734.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231734.cif 2231734.hkl |
| 27873 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231734 via cif-deposit CGI script. |
2231734.cif |
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Users of the data should acknowledge the original authors of the
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