Information card for entry 2201587

Structure parameters

• Chemical name: Aquabenzoatobis(1,10-phenanthroline-κ^2^N,N')manganese (II) perchlorate dimethylformamide solvate
• Formula: C34 H30 Cl Mn N5 O8
• Calculated formula: C34 H30 Cl Mn N5 O8
• SMILES: [Mn]12([OH2])(OC(=O)c3ccccc3)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.Cl(=O)(=O)(=O)[O-].O=CN(C)C
• Title of publication: Aquabenzoatobis(1,10-phenanthroline-κ^2^<i>N,N</i>')manganese(II) perchlorate dimethylformamide solvate
• Authors of publication: Zhang, Xiaofeng; Fan, Cheng; Wang, Wenguo; Chen, Changneng; Liu, Qiutian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m688 - m690
• a: 12.1787 ± 0.0004 Å
• b: 16.032 ± 0.0005 Å
• c: 17.3628 ± 0.0005 Å
• α: 90°
• β: 105.223 ± 0.001°
• γ: 90°
• Cell volume: 3271.11 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No