Information card for entry 4126541

Structure parameters

• Formula: C59 H85 Cl Ga2 N4 P6
• Calculated formula: C59 H85 Cl Ga2 N4 P6
• SMILES: [Ga]12(P3P4P3P([Ga]3(Cl)N(C(=CC(=[N]3c3c(cccc3C(C)C)C(C)C)C)C)c3c(cccc3C(C)C)C(C)C)P1P4C)[N](=C(C=C(N2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• 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: 10.66659 ± 0.00016 Å
• b: 12.60752 ± 0.00017 Å
• c: 24.3781 ± 0.0003 Å
• α: 91.8537 ± 0.0011°
• β: 100.631 ± 0.0012°
• γ: 108.423 ± 0.0013°
• Cell volume: 3042.46 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No