Information card for entry 7031251

Structure parameters

• Formula: C7 H17 Mn2.5 N6 O15 P
• Calculated formula: C7 H13 Mn2.5 N6 O15 P
• Title of publication: Solvent-free synthesis of new metal phosphite-oxalates with open-framework structures.
• Authors of publication: Liu, Lin; Luo, Daibing; Li, Defu; Lin, Zhien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7695 - 7698
• a: 9.7205 ± 0.0006 Å
• b: 9.7468 ± 0.0006 Å
• c: 10.8926 ± 0.0005 Å
• α: 83.989 ± 0.004°
• β: 75.467 ± 0.005°
• γ: 78.545 ± 0.005°
• Cell volume: 977.45 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No