Information card for entry 4308457

Structure parameters

• Formula: C12 H32 Mn3 N2 O28 P4
• Calculated formula: C12 H14 Mn3 N2 O28 P4
• Title of publication: New Types of Metal Squarato-phosphonates: Condensation of Aminodiphosphonate with Squaric Acid under Hydrothermal Conditions
• Authors of publication: Bing-Ping Yang; Jiang-Gao Mao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 566 - 571
• a: 7.6267 ± 0.0001 Å
• b: 8.1689 ± 0.0001 Å
• c: 12.8587 ± 0.0004 Å
• α: 95.724 ± 0.002°
• β: 103.905 ± 0.002°
• γ: 90.657 ± 0.002°
• Cell volume: 773.24 ± 0.03 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: 0.0882
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No