Information card for entry 4320867

Structure parameters

• Chemical name: compound 3
• Formula: C54 H72 Mo2 O16.5 P4
• Calculated formula: C54 H72 Mo2 O16.5 P4
• Title of publication: Synthesis and Structure of Organic-Soluble Binuclear Molecular Phosphonates of Tantalum, Molybdenum, and Tungsten
• Authors of publication: Olexandr I. Guzyr; Rolf Siefken; Debashis Chakraborty; Herbert W. Roesky; Markus Teichert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1680 - 1683
• a: 16.992 ± 0.002 Å
• b: 20.189 ± 0.003 Å
• c: 18.107 ± 0.004 Å
• α: 90°
• β: 98.24 ± 0.03°
• γ: 90°
• Cell volume: 6147.5 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No