Information card for entry 7200538

Structure parameters

• Formula: C12 H8 Mn N0 O5 S4
• Calculated formula: C12 H8 Mn O5 S4
• Title of publication: Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks
• Authors of publication: Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 896 - 901
• a: 7.404 ± 0.0015 Å
• b: 26.67 ± 0.005 Å
• c: 8.218 ± 0.0016 Å
• α: 90°
• β: 99.2 ± 0.03°
• γ: 90°
• Cell volume: 1601.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No