Information card for entry 4066889

Structure parameters

• Formula: C98 H138 Cs4 N8 P4
• Calculated formula: C88.5 H128.5 Cs4 N6.5 P4
• 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: 31.865 ± 0.003 Å
• b: 24.225 ± 0.002 Å
• c: 29.185 ± 0.002 Å
• α: 90°
• β: 112.193 ± 0.001°
• γ: 90°
• Cell volume: 20860 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No