Information card for entry 8102676

Structure parameters

• Chemical name: Dibromobis(1-(2-pyridylmethyl)-2-(2-pyridyl)benzimidazole)manganese(II) acetonitrile solvate
• Formula: C38 H31 Br2 Mn N9
• Calculated formula: C38 H31 Br2 Mn N9
• SMILES: [Mn]12(Br)(Br)([n]3c4ccccc4n(c3c3[n]1cccc3)Cc1ncccc1)[n]1c3ccccc3n(c1c1[n]2cccc1)Cc1ncccc1.N#CC
• Title of publication: Crystal structure of dibromobis(1-(2-pyridylmethyl)-2-(2-pyridyl)benzimidazole)manganese(II) — acetonitrile (1:1), MnBr2(C18H14N4)2 · CH3CN
• Authors of publication: Kwang Ha
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 259
• a: 9.6104 ± 0.0013 Å
• b: 12.0192 ± 0.0017 Å
• c: 17.771 ± 0.002 Å
• α: 107.096 ± 0.003°
• β: 96.468 ± 0.003°
• γ: 107.982 ± 0.003°
• Cell volume: 1818.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No