Information card for entry 7211542

Structure parameters

• Formula: C8 H9 Mn N O7
• Calculated formula: C8 H9 Mn N O7
• Title of publication: An unusual fluorite network constructed by dinuclear manganese and 5-carboxyl-1-carboxymethyl-3-oxidopyridimium
• Authors of publication: Zhan, Cai-Hong; Jiang, Mei-Xiang; Feng, Yun-Long; Cheng, Jian-Wen
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 420
• a: 10.3259 ± 0.0001 Å
• b: 9.1606 ± 0.0001 Å
• c: 11.3351 ± 0.0001 Å
• α: 90°
• β: 101.97 ± 0.001°
• γ: 90°
• Cell volume: 1048.89 ± 0.018 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: 0.0266
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No