Information card for entry 4328948

Structure parameters

• Formula: C31 H49 Ga N2
• Calculated formula: C31 H49 Ga N2
• SMILES: [Ga]1(N(c2c(cccc2C(C)C)C(C)C)C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)(C)C)(C)C
• Title of publication: Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands
• Authors of publication: Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4650 - 4662
• a: 18.6849 ± 0.0012 Å
• b: 10.17 ± 0.0007 Å
• c: 16.8763 ± 0.0011 Å
• α: 90°
• β: 111.818 ± 0.003°
• γ: 90°
• Cell volume: 2977.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No