Information card for entry 4126538

Structure parameters

• Formula: C88 H112 Ga2 N4 P12
• Calculated formula: C88 H112 Ga2 N4 P12
• SMILES: C1(=[N](c2c(cccc2C(C)C)C(C)C)[Ga]2(N(C(=C1)C)c1c(cccc1C(C)C)C(C)C)P1P3P1P1P2P3P2P3P4P3P1P2[Ga]14N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 10.2156 ± 0.0002 Å
• b: 15.5486 ± 0.0003 Å
• c: 15.9803 ± 0.0003 Å
• α: 62.9694 ± 0.0019°
• β: 89.6719 ± 0.0017°
• γ: 80.6194 ± 0.0016°
• Cell volume: 2224.02 ± 0.08 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No