Information card for entry 2201650

Structure parameters

• Chemical name: Aqua(chloroacetato)bis(1,10-phenanthroline-N,N')manganese(II) perchlorate
• Formula: C26 H20 Cl2 Mn N4 O7
• Calculated formula: C26 H20 Cl2 Mn N4 O7
• SMILES: [Mn]12([OH2])(OC(=O)CCl)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.Cl(=O)(=O)(=O)[O-]
• Title of publication: Aqua(chloroacetato)bis(1,10-phenanthroline-<i>N,N</i>')manganese(II) perchlorate
• Authors of publication: Zhang, Xiaofeng; Chen Feng; Wang, Wenguo; Chen,Changneng; Liu, Qiutian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m360 - m362
• a: 9.4884 ± 0.0004 Å
• b: 9.6935 ± 0.0005 Å
• c: 15.2244 ± 0.0008 Å
• α: 74.715 ± 0.002°
• β: 78.456 ± 0.001°
• γ: 73.955 ± 0.001°
• Cell volume: 1285.84 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes