Information card for entry 2210777

Structure parameters

• Chemical name: Hexakis(N-methyl-1H-imidazole-κN^3^)manganese(II) dibromide dihydrate
• Formula: C24 H40 Br2 Mn N12 O2
• Calculated formula: C24 H40 Br2 Mn N12 O2
• SMILES: O.[Br-].c1n(cc[n]1[Mn]([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)[n]1cn(cc1)C)C.O.[Br-]
• Title of publication: Hexakis(<i>N</i>-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) dibromide dihydrate
• Authors of publication: Kooijman, Huub
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2681 - m2682
• a: 8.1137 ± 0.001 Å
• b: 13.6259 ± 0.001 Å
• c: 16.057 ± 0.002 Å
• α: 90°
• β: 110.993 ± 0.011°
• γ: 90°
• Cell volume: 1657.4 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.028
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes