Information card for entry 4114377

Structure parameters

• Formula: C42.5 H35 Cl5 Ga P3
• Calculated formula: C42 H34 Cl4 Ga P3
• SMILES: [Ga](Cl)([Cl-])(Cl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1c(P(P(c2ccccc2)c2ccccc2)c2ccccc2)cccc1
• Title of publication: Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation
• Authors of publication: Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 14404 - 14410
• a: 9.881 ± 0.001 Å
• b: 14.6051 ± 0.0014 Å
• c: 28.467 ± 0.003 Å
• α: 90°
• β: 91.502 ± 0.002°
• γ: 90°
• Cell volume: 4106.7 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.136
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No