Information card for entry 2233881

Structure parameters

• Chemical name: Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato- κ^2^<i>O</i>,<i>O</i>']manganese(II) monohydrate
• Formula: C38 H32 Mn N4 O5
• Calculated formula: C38 H30 Mn N4 O4
• SMILES: c1ccc2c(c1)[n](c[nH]2)[Mn]12(OC(=[O]1)Cc1cccc4c1cccc4)(OC(=[O]2)Cc1cccc2c1cccc2)[n]1c[nH]c2c1cccc2
• Title of publication: Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-κ^2^<i>O</i>,<i>O</i>']manganese(II) monohydrate
• Authors of publication: Zhang, Zhen-Ming; Yin, Fu-Jun; Li, Shu-An; Wang, Li-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m328
• a: 11.654 ± 0.007 Å
• b: 20.013 ± 0.012 Å
• c: 14.329 ± 0.012 Å
• α: 90°
• β: 106.148 ± 0.007°
• γ: 90°
• Cell volume: 3210 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes