Information card for entry 4126537

Structure parameters

• Formula: C70 H93 Cl F2 Ga2 N4 P6
• Calculated formula: C70 H93 Cl F2 Ga2 N4 P6
• Title of publication: Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.
• Authors of publication: Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 13.31652 ± 0.00016 Å
• b: 15.5916 ± 0.0002 Å
• c: 18.1014 ± 0.0003 Å
• α: 89.956 ± 0.0012°
• β: 68.6852 ± 0.0013°
• γ: 89.3864 ± 0.0011°
• Cell volume: 3501.02 ± 0.09 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No