Information card for entry 8106814

Structure parameters

• Formula: C12 H18 Mn O14 S2
• Calculated formula: C12 H18 Mn O14 S2
• Title of publication: Crystal structure of hexaaquamanganese(II) bis(3-carboxythiophene-2-carboxylate) C12H18MnO14S2
• Authors of publication: Zhao, Yan; Li, Shi-Hui; Zhang, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 165 - 167
• a: 6.5076 ± 0.001 Å
• b: 8.4923 ± 0.0013 Å
• c: 9.8092 ± 0.0015 Å
• α: 66.618 ± 0.001°
• β: 86.903 ± 0.002°
• γ: 82.235 ± 0.002°
• Cell volume: 493.02 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No