Information card for entry 2211563

Structure parameters

• Chemical name: cis-Aquachlorobis(1,10-phenanthroline-κ^2^N,N')manganese(II) 4-formylbenzoate trihydrate
• Formula: C32 H29 Cl Mn N4 O7
• Calculated formula: C32 H29 Cl Mn N4 O7
• SMILES: [Mn]12(Cl)([OH2])([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.O.O.[O-]C(=O)c1ccc(cc1)C=O
• Title of publication: <i>cis</i>-Aquachlorobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-formylbenzoate trihydrate
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3388 - m3389
• a: 10.719 ± 0.002 Å
• b: 11.849 ± 0.002 Å
• c: 12.971 ± 0.003 Å
• α: 103.33 ± 0.03°
• β: 94.42 ± 0.03°
• γ: 104.23 ± 0.03°
• Cell volume: 1538.2 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes