Information card for entry 4505481

Structure parameters

• Formula: C9 H8 Mn O6
• Calculated formula: C9 H8 Mn O6
• Title of publication: Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid
• Authors of publication: Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1201
• a: 5.204 ± 0.0011 Å
• b: 9.634 ± 0.002 Å
• c: 9.777 ± 0.002 Å
• α: 90°
• β: 91.737 ± 0.004°
• γ: 90°
• Cell volume: 489.95 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No