Information card for entry 2225111

Structure parameters

• Chemical name: Bis[(1-methyl-1<i>H</i>-benzimidazol-2-yl)methanol- κ^2^<i>N</i>^3^,<i>O</i>]bis(thiocyanato-κ<i>N</i>)cobalt(II) methanol solvate
• Formula: C21 H24 Co N6 O3 S2
• Calculated formula: C21 H24 Co N6 O3 S2
• SMILES: [Co]12([OH]Cc3[n]1c1ccccc1n3C)([OH]Cc1[n]2c2ccccc2n1C)(N=C=S)N=C=S.OC
• Title of publication: Bis[(1-methyl-1<i>H</i>-benzimidazol-2-yl)methanol-κ^2^<i>N</i>^3^,<i>O</i>]bis(thiocyanato-κ<i>N</i>)cobalt(II) methanol solvate
• Authors of publication: Zhou, Yan-Ling; Liang, Hong; Zeng, Ming-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m189
• a: 7.5008 ± 0.0013 Å
• b: 10.347 ± 0.0018 Å
• c: 16.042 ± 0.003 Å
• α: 95.579 ± 0.003°
• β: 103.388 ± 0.003°
• γ: 95.179 ± 0.003°
• Cell volume: 1197.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes