Information card for entry 4117185

Structure parameters

• Formula: C33.67 H23.67 N O5.17 P
• Calculated formula: C33.68 H23.7 N O5.17 P
• Title of publication: Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity
• Authors of publication: Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 9841 - 9849
• a: 36.021 ± 0.002 Å
• b: 36.021 ± 0.002 Å
• c: 10.646 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11963 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.0889
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No