Information card for entry 2213873

Structure parameters

• Chemical name: Chlorido[N,N,N',N'-tetrakis(benzimidazol-2-ylmethyl)ethane-1,2- diamine]manganese(II) chloride monohydrate
• Formula: C34 H34 Cl2 Mn N10 O
• Calculated formula: C34 H34 Cl2 Mn N10 O
• SMILES: [Mn]1234(Cl)[N](Cc5[n]2c2ccccc2[nH]5)(Cc2[n]3c3c(cccc3)[nH]2)CC[N]1(Cc1[n]4c2c(cccc2)[nH]1)Cc1[nH]c2ccccc2n1.[Cl-].O
• Title of publication: Chlorido[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(benzimidazol-2-ylmethyl)ethane-1,2-diamine]manganese(II) chloride monohydrate
• Authors of publication: Ya-Mei Pei; Chun-Shan Zhou; Xiang-Gao Meng; Li Wang; Chang-Lin Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1571 - m1572
• a: 9.79 ± 0.002 Å
• b: 12.657 ± 0.003 Å
• c: 16.039 ± 0.004 Å
• α: 76.38 ± 0.004°
• β: 84.743 ± 0.004°
• γ: 77.753 ± 0.004°
• Cell volume: 1885.8 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes