Information card for entry 4317882

Structure parameters

• Formula: C13 H14 Cu Mo2 N2 O11 P2
• Calculated formula: C13 H14 Cu Mo2 N2 O11 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: 8.5535 ± 0.0008 Å
• b: 24.723 ± 0.002 Å
• c: 9.6296 ± 0.0009 Å
• α: 90°
• β: 105.726 ± 0.002°
• γ: 90°
• Cell volume: 1960.1 ± 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: 0.0739
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No