Information card for entry 7015931

Structure parameters

• Formula: C2 H0.5 Mn O4.25
• Calculated formula: C2 H0.5 Mn O4.25
• Title of publication: Mn(C(2)O(4))(H(2)O)(0.25): an antiferromagnetic oxalato-based cage compound.
• Authors of publication: Zhang, Bin; Zhang, Yan; Zhang, Jinbiao; Hao, Xiang; Zhu, Daoben
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5430 - 5432
• a: 9.01 ± 0.003 Å
• b: 7.117 ± 0.002 Å
• c: 11.755 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 753.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.314
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No