Information card for entry 4117727

Structure parameters

• Formula: C79 H94 Cl6 N10 P4
• Calculated formula: C79 H94 Cl6 N10 P4
• Title of publication: Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands
• Authors of publication: Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 5398 - 5414
• a: 11.562 ± 0.002 Å
• b: 13.418 ± 0.003 Å
• c: 14.712 ± 0.003 Å
• α: 65.35 ± 0.03°
• β: 78.17 ± 0.03°
• γ: 88.2 ± 0.03°
• Cell volume: 2026.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No