Information card for entry 4126526

Structure parameters

• Formula: C61 H88 Cl6 Ga2 N4 P4
• Calculated formula: C61 H88 Cl6 Ga2 N4 P4
• SMILES: [Ga]12(N(C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)P2P3[Ga]4(N(C(=CC(=[N]4c4c(cccc4C(C)C)C(C)C)C)C)c4c(cccc4C(C)C)C(C)C)P2P13.ClCCl.ClCCl.ClCCl
• 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: 18.8363 ± 0.0004 Å
• b: 39.5996 ± 0.0009 Å
• c: 18.2132 ± 0.0004 Å
• α: 90°
• β: 93.7064 ± 0.0018°
• γ: 90°
• Cell volume: 13557 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No