Information card for entry 7208045

Structure parameters

• Common name: Manganese Sulfonyldibenzoate
• Formula: C84 H52 K2 Mn5 O38 S6
• Calculated formula: C84 H48 K2 Mn5 O38 S6
• Title of publication: Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties
• Authors of publication: Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4323
• a: 12.7407 ± 0.0003 Å
• b: 12.7787 ± 0.0003 Å
• c: 15.996 ± 0.0004 Å
• α: 86.701 ± 0.002°
• β: 72.142 ± 0.002°
• γ: 60.438 ± 0.003°
• Cell volume: 2142.27 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No