Information card for entry 2204054

Structure parameters

• Formula: C25 H27 Mn N7 O6
• Calculated formula: C25 H27 Mn N7 O6
• SMILES: [Mn]12(OC(=O)C[NH]2CC(=O)O1)([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12.O.O
• Title of publication: Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(iminodiacetato-κ^2^<i>O,O</i>')manganese(II) dihydrate
• Authors of publication: Jian-Rong Su; Kai-Liang Yin; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1063 - m1065
• a: 13.5852 ± 0.0007 Å
• b: 10.4183 ± 0.0004 Å
• c: 19.5622 ± 0.0007 Å
• α: 90°
• β: 104.065 ± 0.002°
• γ: 90°
• Cell volume: 2685.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.111
• 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: Yes