Information card for entry 7208047

Structure parameters

• Common name: Manganese Sulfonyldibenzoate
• Formula: C84 H60 Mn5 N2 O38 S6
• Calculated formula: C84 H56 Mn5 N2 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: 12.7609 ± 0.0006 Å
• b: 12.7682 ± 0.0006 Å
• c: 16.0315 ± 0.0007 Å
• α: 87.646 ± 0.004°
• β: 72.508 ± 0.004°
• γ: 60.477 ± 0.005°
• Cell volume: 2149.7 ± 0.2 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: 0.0675
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No