Information card for entry 7201865

Structure parameters

• Formula: C10 H20 Mn2 O14
• Calculated formula: C10 H20 Mn2 O14
• 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: 8.6831 ± 0.0018 Å
• b: 12.128 ± 0.003 Å
• c: 15.999 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1684.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No