Information card for entry 4319698

Structure parameters

• Formula: C13 H12 Cu Mo2 N2 O12 P2
• Calculated formula: C13 H10 Cu Mo2 N2 O12 P2
• Title of publication: A New Class of Organic-Inorganic Hybrid Materials: Hydrothermal Synthesis and Structural Characterization of Bimetallic Organophosphonate Oxide Phases of the Mo/Cu/O/RPO32-Family
• Authors of publication: Robert C. Finn; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2466 - 2467
• a: 11.8674 ± 0.001 Å
• b: 10.398 ± 0.0009 Å
• c: 15.6954 ± 0.0014 Å
• α: 90°
• β: 107.937 ± 0.002°
• γ: 90°
• Cell volume: 1842.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No