Information card for entry 4126516

Structure parameters

• Formula: C72 H100 Ga2 N4 O P6
• Calculated formula: C72 H100 Ga2 N4 O 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: 13.2249 ± 0.0002 Å
• b: 15.7757 ± 0.0002 Å
• c: 18.2072 ± 0.0003 Å
• α: 89.6385 ± 0.0011°
• β: 68.9491 ± 0.0014°
• γ: 88.0122 ± 0.0012°
• Cell volume: 3542.88 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No