Information card for entry 2231734

Structure parameters

• 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 ų
• 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