Information card for entry 4324618

Structure parameters

• Formula: C5 H10 Mn N2 O8 P2
• Calculated formula: C5 H10 Mn N2 O8 P2
• Title of publication: Cobalt and Manganese Diphosphonates with One-, Two-, and Three-Dimensional Structures and Field-Induced Magnetic Transitions
• Authors of publication: Deng-Ke Cao; Mei-Juan Liu; Jian Huang; Song-Song Bao; Li-Min Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2278 - 2287
• a: 5.4816 ± 0.0009 Å
• b: 15.899 ± 0.003 Å
• c: 12.6013 ± 0.0019 Å
• α: 90°
• β: 99.999 ± 0.003°
• γ: 90°
• Cell volume: 1081.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No