Information card for entry 4342348

Structure parameters

• Common name: Manganese sulfonyldibenzoates
• Formula: C56 H54 Mn3 N4 O21 S3
• Calculated formula: C56 H54 Mn3 N4 O21 S3
• Title of publication: High proton mobility, solvent induced single crystal to single crystal structural transformation, and related studies on a family of compounds formed from mn3 oxo-clusters.
• Authors of publication: Bhattacharya, Saurav; Bhattacharyya, Aninda J.; Natarajan, Srinivasan
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1254 - 1271
• a: 16.7094 ± 0.0003 Å
• b: 20.2857 ± 0.0004 Å
• c: 17.1936 ± 0.0003 Å
• α: 90°
• β: 99.178 ± 0.002°
• γ: 90°
• Cell volume: 5753.36 ± 0.19 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: 0.0766
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No