Information card for entry 4066890

Structure parameters

• Formula: C103 H172 Cs3 N4 O7 P5
• Calculated formula: C103 H164 Cs3 N4 O7 P5
• Title of publication: Fragmentation of an N-Substituted One-Coordinate Phosphorus (Phosphaalkyne): Plausible Generation of Monovalent Phosphorus Species†
• Authors of publication: Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Howe, Laurie A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4154
• a: 60.21 ± 0.008 Å
• b: 10.9354 ± 0.0016 Å
• c: 35.649 ± 0.004 Å
• α: 90°
• β: 107.523 ± 0.003°
• γ: 90°
• Cell volume: 22383 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No