Information card for entry 4507813

Structure parameters

• Formula: C76 H73 Cu6 N12 O56 P5 W12
• Calculated formula: C76 H62 Cu6 N12 O56 P5 W12
• Title of publication: Hydrothermal Synthesis and Structural Characterization of Metal Organophosphonate Oxide Materials: Role of Metal-Oxo Clusters in the Self Assembly of Metal Phosphonate Architectures
• Authors of publication: Tripuramallu, Bharat Kumar; Das, Samar K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2426
• a: 12.7841 ± 0.0017 Å
• b: 13.3928 ± 0.0018 Å
• c: 17.908 ± 0.002 Å
• α: 77.941 ± 0.002°
• β: 79.059 ± 0.002°
• γ: 66.865 ± 0.002°
• Cell volume: 2737.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No