Information card for entry 8103116

Structure parameters

• Formula: C14 H22 Mn N4 O12
• Calculated formula: C14 H22 Mn N4 O12
• Title of publication: Crystal structure of di(methanol)-bis(2,4-dihydroxypyrimidine-5-carboxylato) manganese(II) — methanol (1:2), Mn(CH3OH)2(C5H3N2O4)2 · 2CH3OH
• Authors of publication: Bo Xiao; Qian-Qian Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 21
• a: 8.6675 ± 0.0004 Å
• b: 11.1241 ± 0.0004 Å
• c: 11.3889 ± 0.0005 Å
• α: 90°
• β: 108.093 ± 0.004°
• γ: 90°
• Cell volume: 1043.8 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No