Information card for entry 2219577

Structure parameters

• Chemical name: Tetraaquabis(2-sulfamoylbenzoato)manganese(II)
• Formula: C14 H20 Mn N2 O12 S2
• Calculated formula: C14 H20 Mn N2 O12 S2
• SMILES: [OH2][Mn](OC(=O)c1c(cccc1)S(=O)(=O)N)(OC(=O)c1c(cccc1)S(=O)(=O)N)([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis(2-sulfamoylbenzoato)manganese(II)
• Authors of publication: Akram, Rehana; Siddiqui, Waseeq Ahmad; Tahir, M. Nawaz; Siddiqui, Hamid Latif; Iqbal, Amjid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1293 - m1294
• a: 15.2442 ± 0.0004 Å
• b: 8.2835 ± 0.0002 Å
• c: 7.9188 ± 0.0002 Å
• α: 90°
• β: 99.971 ± 0.001°
• γ: 90°
• Cell volume: 984.85 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes