Information card for entry 2202606

Structure parameters

• Chemical name: diaquabis{2-[(5-methylpyrazol-3-yl)methyl]benzimidazole}cobalt(II) dichloride dihydrate acetone solvate
• Formula: C27 H38 Cl2 Co N8 O5
• Calculated formula: C27 H38 Cl2 Co N8 O5
• Title of publication: Complexation du 2-[(5-méthylpyrazol-3-yl)méthyl]benzimidazole par le chlorure du cobalt
• Authors of publication: Sbai, F.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m571 - m573
• a: 12.3576 ± 0.0002 Å
• b: 19.121 ± 0.0003 Å
• c: 13.9169 ± 0.0002 Å
• α: 90°
• β: 96.182 ± 0.005°
• γ: 90°
• Cell volume: 3269.3 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes