Information card for entry 2206325

Structure parameters

• Chemical name: dichloro[bis(bis(benzimidazol-2-ylmethyl)-amine)] manganese(II) methanol trisolvate
• Formula: C35 H42 Cl2 Mn N10 O3
• Calculated formula: C35 H42 Cl2 Mn N10 O3
• SMILES: c12ccccc1[n]1c(C[NH]3Cc4[n](c5c(cccc5)[nH]4)[Mn]413(Cl)[NH](Cc1[n]4c3ccccc3[nH]1)Cc1nc3ccccc3[nH]1)[nH]2.CO.CO.CO.[Cl-]
• Title of publication: Bis[bis(benzimidazol-2-ylmethyl)amine]-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';κ^2^<i>N</i>,<i>N</i>'-chloromanganese(II) chloride methanol trisolvate
• Authors of publication: Zhou, Qing-Hua; Yang, Pin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1292 - m1294
• a: 13.161 ± 0.003 Å
• b: 11.905 ± 0.003 Å
• c: 25.144 ± 0.007 Å
• α: 90°
• β: 98.794 ± 0.004°
• γ: 90°
• Cell volume: 3893.3 ± 1.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.097
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes