Information card for entry 7201867

Structure parameters

• Formula: C4 H10 Mn O8
• Calculated formula: C4 H10 Mn O8
• Title of publication: Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly
• Authors of publication: Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 472
• a: 7.9539 ± 0.0009 Å
• b: 7.9539 ± 0.0009 Å
• c: 13.189 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 834.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No