Information card for entry 7217784

Structure parameters

• Formula: C14 H10 Mn O7 S
• Calculated formula: C14 H10 Mn O7 S
• Title of publication: Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications
• Authors of publication: Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 9308
• a: 5.998 ± 0.0002 Å
• b: 11.8959 ± 0.0004 Å
• c: 13.0287 ± 0.0007 Å
• α: 112.118 ± 0.003°
• β: 102.502 ± 0.003°
• γ: 99.816 ± 0.002°
• Cell volume: 807.5 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No