Information card for entry 4306389

Structure parameters

• Formula: C12 H11 Mn O7
• Calculated formula: C12 H11 Mn O7
• Title of publication: Hydrothermal Synthesis, Structures, and Physical Properties of Four New Flexible Multicarboxylate Ligands-Based Compounds
• Authors of publication: Zhaorui Pan; Hegen Zheng; Tianwei Wang; You Song; Yizhi Li; Zijian Guo; Stuart R. Batten
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9528 - 9536
• a: 20.607 ± 0.004 Å
• b: 15.384 ± 0.003 Å
• c: 8.1417 ± 0.0017 Å
• α: 90°
• β: 107.167 ± 0.003°
• γ: 90°
• Cell volume: 2466.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No