Information card for entry 4509956

Structure parameters

• Common name: Manganese sulfonyldibenzoates
• Formula: C48 H30 Mn3 N2 O23 S3
• Calculated formula: C48 H30 Mn3 N2 O23 S3
• Title of publication: Organization of Mn-Clusters inpcuandbcuNetworks: Synthesis, Structure, and Properties
• Authors of publication: Bhattacharya, Saurav; Gnanavel, M.; Bhattacharyya, Aninda J.; Natarajan, Srinivasan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 310
• a: 15.9995 ± 0.0005 Å
• b: 18.1852 ± 0.0007 Å
• c: 24.8199 ± 0.0007 Å
• α: 90°
• β: 102.917 ± 0.003°
• γ: 90°
• Cell volume: 7038.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No