Information card for entry 2205557

Structure parameters

• Chemical name: Bis(4-carboxybenzenesulfonato)bis(1,10-phenanthroline)manganese(II)
• Formula: C38 H26 Mn N4 O10 S2
• Calculated formula: C38 H26 Mn N4 O10 S2
• SMILES: [Mn]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)(OS(=O)(=O)c1ccc(cc1)C(=O)O)OS(=O)(=O)c1ccc(cc1)C(=O)O
• Title of publication: Bis(4-carboxybenzenesulfonato)bis(1,10-phenanthroline)manganese(II)
• Authors of publication: Zhang, Li-Ping; Zhu, Long-Guan; Xiao, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m705 - m707
• a: 9.5218 ± 0.0006 Å
• b: 13.5515 ± 0.0008 Å
• c: 13.6083 ± 0.0008 Å
• α: 89.216 ± 0.001°
• β: 78.692 ± 0.001°
• γ: 82.348 ± 0.001°
• Cell volume: 1706.38 ± 0.18 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: 0.077
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No