Information card for entry 2226741

Structure parameters

• Chemical name: (4-Carboxy-2-sulfonatobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)bis(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)
• Formula: C32 H20 Mn N4 O7 S
• Calculated formula: C32 H20 Mn N4 O7 S
• SMILES: [Mn]123(OC(=O)c4c(S(=O)(=O)O1)cc(cc4)C(=O)O)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12
• Title of publication: (4-Carboxy-2-sulfonatobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)
• Authors of publication: Wu, Qiong-Fang; Li, Ming-Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m849 - m850
• a: 9.49 ± 0.002 Å
• b: 9.688 ± 0.002 Å
• c: 16.842 ± 0.004 Å
• α: 73.294 ± 0.004°
• β: 89.016 ± 0.004°
• γ: 70.159 ± 0.003°
• Cell volume: 1389.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes