Information card for entry 4317880

Structure parameters

• Formula: C11 H14 Cu Mo2 N2 O13 P2
• Calculated formula: C11 H10 Cu Mo2 N2 O13 P2
• Title of publication: Organic-Inorganic Hybrid Materials: Hydrothermal Syntheses and Structural Characterization of Bimetallic Organophosphonate Oxides of the Type Mo/Cu/O/RPO32-/Organoimine
• Authors of publication: Robert C. Finn; Randy S. Rarig; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2109 - 2123
• a: 7.828 ± 0.0011 Å
• b: 19.877 ± 0.003 Å
• c: 25.46 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3961.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No