Information card for entry 7004831

Structure parameters

• Formula: C30 H36 K Mn4 N7 O20
• Calculated formula: C30 H27 K Mn4 N7 O20
• Title of publication: Aggregation of tetranuclear Mn building blocks with alkali ion. Syntheses, crystal structures and chemical behaviors of monomer, dimer and polymer containing [Mn4(mu3-O)2]8+ units.
• Authors of publication: Huang, Deguang; Zhang, Xiaofeng; Ma, Chengbing; Chen, Hui; Chen, Changneng; Liu, Qiutian; Zhang, Chunxi; Liao, Daizheng; Li, Licun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 680 - 688
• a: 22.3403 ± 0.0001 Å
• b: 14.8704 ± 0.0001 Å
• c: 26.4903 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8800.32 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No