Information card for entry 4126532

Structure parameters

• Formula: C70.5 H94 F6 Ga2 N5 O4 P6 S2
• Calculated formula: C70.5 H94 F6 Ga2 N5 O4 P6 S2
• 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: 49.1449 ± 0.0006 Å
• b: 12.6868 ± 0.0002 Å
• c: 24.6372 ± 0.0004 Å
• α: 90°
• β: 94.906 ± 0.001°
• γ: 90°
• Cell volume: 15304.8 ± 0.4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No