Information card for entry 2209636

Structure parameters

• Chemical name: [Bis(1H-benzimidazol-2-ylmethyl)amine]dichloro(ethanol)manganese(II)
• Formula: C18 H21 Cl2 Mn N5 O
• Calculated formula: C18 H21 Cl2 Mn N5 O
• SMILES: [Mn]12(Cl)(Cl)([n]3c4c([nH]c3C[NH]1Cc1[n]2c2c([nH]1)cccc2)cccc4)[OH]CC
• Title of publication: [Bis(1<i>H</i>-benzimidazol-2-ylmethyl)amine]dichloro(ethanol)manganese(II)
• Authors of publication: Yu, Bi-Bo; Meng, Xiang-Gao; Liao, Zhan-Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1519 - m1521
• a: 7.292 ± 0.0005 Å
• b: 13.8686 ± 0.001 Å
• c: 19.6429 ± 0.0014 Å
• α: 90°
• β: 98.009 ± 0.001°
• γ: 90°
• Cell volume: 1967.1 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes