Information card for entry 1543983

Structure parameters

• Chemical name: Bis(methanol-κ<i>O</i>)bis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}cobalt(II)
• Formula: C38 H32 Co N10 O2
• Calculated formula: C38 H32 Co N10 O2
• SMILES: [Co]12([OH]C)([OH]C)(n3nc(nc3c3cccc[n]13)c1ccc(cc1)c1ccncc1)[n]1ccccc1c1n2nc(n1)c1ccc(cc1)c1ccncc1
• Title of publication: Bis(methanol-κ<i>O</i>)bis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}cobalt(II)
• Authors of publication: Peng, Zhen; Xia, Liang; Dong, Wen-Wen
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161316
• a: 13.414 ± 0.004 Å
• b: 12.654 ± 0.003 Å
• c: 9.964 ± 0.001 Å
• α: 90°
• β: 101.43 ± 0.02°
• γ: 90°
• Cell volume: 1657.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes