Information card for entry 4070825

Structure parameters

• Formula: C13 H13 Ga
• Calculated formula: C13 H13 Ga
• SMILES: [Ga](c1ccccc1)(c1ccccc1)C
• Title of publication: Aryl(dimethyl)gallium Compounds and Methyl(diphenyl)gallium: Synthesis, Structure, and Redistribution Reactions
• Authors of publication: Jutzi, Peter; Izundu, Joseph; Neumann, Beate; Mix, Andreas; Stammler, Hans-Georg
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4565
• a: 8.731 ± 0.0009 Å
• b: 11.977 ± 0.0008 Å
• c: 10.739 ± 0.002 Å
• α: 90°
• β: 99.202 ± 0.013°
• γ: 90°
• Cell volume: 1108.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No