Information card for entry 2235859

Structure parameters

• Chemical name: Chloridobis[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]cobalt(II) chloride dihydrate
• Formula: C20 H18 Cl2 Co N6 O2 S2
• Calculated formula: C20 H18 Cl2 Co N6 O2 S2
• SMILES: [Co]12([n]3c4ccccc4[nH]c3c3[n]1csc3)([n]1c3ccccc3[nH]c1c1[n]2csc1)Cl.O.O.[Cl-]
• Title of publication: Chloridobis[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]cobalt(II) chloride dihydrate
• Authors of publication: Shi, Zhan-Wang; Qin, Yan; Lin, Yan-Xia; Wu, Wei; Liang, Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1042 - m1043
• a: 14.803 ± 0.004 Å
• b: 11.709 ± 0.003 Å
• c: 14.082 ± 0.004 Å
• α: 90°
• β: 101.439 ± 0.004°
• γ: 90°
• Cell volume: 2392.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes