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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) |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2231734.html
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