Information card for entry 8102299

Structure parameters

• Formula: C19 H23 Mn N3 O10 S
• Calculated formula: C19 H23 Mn N3 O10 S
• SMILES: [Mn]1([OH2])([OH2])([OH2])([OH2])[n]2ccccc2c2[n]1cccc2.S(=O)(=O)(NCC(=O)[O-])c1ccc(C(=O)[O-])cc1
• Title of publication: Crystal structure of tetraaqua-2,2'-bipyridinemanganese(II) 4-(sulfonyl-glycine)benzoic acid, [Mn(H2O)4(C10H8N2)][C10H7NO6S]
• Authors of publication: Wen-Ying Zhang; Shuai Yuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 149
• a: 7.6391 ± 0.0011 Å
• b: 13.1605 ± 0.0018 Å
• c: 13.245 ± 0.0018 Å
• α: 64.329 ± 0.002°
• β: 73.977 ± 0.002°
• γ: 86.683 ± 0.002°
• Cell volume: 1150.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No