Information card for entry 4342345

Structure parameters

• Common name: Manganese sulfonyldibenzoates
• Formula: C64 H32 Mn4 N2 O26 S4
• Calculated formula: C64 H32 Mn4 N2 O26 S4
• 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: 11.6384 ± 0.0018 Å
• b: 21.052 ± 0.004 Å
• c: 24.247 ± 0.004 Å
• α: 114.959 ± 0.008°
• β: 102.95 ± 0.009°
• γ: 92.406 ± 0.009°
• Cell volume: 5185.9 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.128
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2085
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No