Information card for entry 4313948

Structure parameters

• Formula: C33.5 H53 F3 N3 O4 P S
• Calculated formula: C33.5 H53 F3 N3 O4 P S
• Title of publication: Chalcogeno-urea Ligands on a Phosphadiazonium Lewis Acceptor: A New Synthetic Approach to Ch-P Bonds (Ch = O, S, Se)
• Authors of publication: Neil Burford; Andrew D. Phillips; Heather A. Spinney; Katherine N. Robertson; T. Stanley Cameron; Robert McDonald
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4949 - 4954
• a: 9.5517 ± 0.0012 Å
• b: 30.214 ± 0.004 Å
• c: 13.1803 ± 0.0015 Å
• α: 90°
• β: 95.816 ± 0.003°
• γ: 90°
• Cell volume: 3784.2 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.2061
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections: 0.2111
• Weighted residual factors for significantly intense reflections: 0.1656
• Goodness-of-fit parameter for all reflections: 0.882
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No