Information card for entry 4328942

Structure parameters

• Formula: C26 H36 Cl3 Ga N2
• Calculated formula: C26 H36 Cl3 Ga N2
• SMILES: [Ga](Cl)(Cl)(Cl)[N](c1c(C(C)C)cccc1C(C)C)=C/C=N/c1c(cccc1C(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: 25.344 ± 0.007 Å
• b: 12.688 ± 0.003 Å
• c: 19.173 ± 0.015 Å
• α: 90°
• β: 109 ± 0.03°
• γ: 90°
• Cell volume: 5829 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1225
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No