Information card for entry 4110894

Structure parameters

• Formula: C48 H60 Ga N2
• Calculated formula: C48 H60 Ga N2
• SMILES: [Ga]1([N](=Nc2c(cc(cc12)C)C)c1c(cc(cc1C)C)C)(c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C
• 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: 11.347 ± 0.003 Å
• b: 12.766 ± 0.004 Å
• c: 16.505 ± 0.004 Å
• α: 72.43 ± 0.004°
• β: 70.736 ± 0.004°
• γ: 66.315 ± 0.004°
• Cell volume: 2026.8 ± 1 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No