Information card for entry 4110895

Structure parameters

• Formula: C50 H63 Ga N2
• Calculated formula: C50 H63 Ga N2
• SMILES: [Ga]1([N](=Nc2c(cccc12)CC)c1c(CC)cccc1CC)(c1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(cccc1C(C)C)C(C)C)CC
• Title of publication: Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds
• Authors of publication: Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12498 - 12509
• a: 12.8419 ± 0.0014 Å
• b: 10.8132 ± 0.0012 Å
• c: 31.065 ± 0.004 Å
• α: 90°
• β: 90.861 ± 0.003°
• γ: 90°
• Cell volume: 4313.3 ± 0.9 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 4
• 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: 0.0924
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No