Information card for entry 8106879

Structure parameters

• Formula: C48 H40 Mn4 N24 O16
• Calculated formula: C48 H40 Mn4 N24 O16
• Title of publication: Crystal structure of hexaaquabis(μ2-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)bis(μ3-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)tetra-manganese(II) dihydrate, C48H40Mn4N24O16
• Authors of publication: Xue-Feng, Wei; Juan, Miao; Ling-Ling, Shi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 375 - 377
• a: 13.458 ± 0.007 Å
• b: 14.095 ± 0.008 Å
• c: 14.679 ± 0.008 Å
• α: 90°
• β: 96.535 ± 0.007°
• γ: 90°
• Cell volume: 2766 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1512
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No