Information card for entry 8107001

Structure parameters

• Formula: C16 H20 Mn O15
• Calculated formula: C16 H20 Mn O15
• Title of publication: Crystal structure of tetraaqua(μ2-3-(3,5-dicarboxyphenoxy)benzene-1,2-dicarboxylato-κ2 O:O′)manganese(II) dihydrate, C16H20O15Mn
• Authors of publication: Jing, Liu; Jing-Wen, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 771 - 773
• a: 14.5686 ± 0.0005 Å
• b: 7.9292 ± 0.0003 Å
• c: 18.6519 ± 0.0006 Å
• α: 90°
• β: 111.302 ± 0.001°
• γ: 90°
• Cell volume: 2007.41 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No