Information card for entry 4328946

Structure parameters

• Formula: C22 H30 Cl Ga N2
• Calculated formula: C22 H30 Cl Ga N2
• SMILES: [Ga](Cl)([N](c1c(cc(cc1C)C)C)=C/C=N/c1c(cc(cc1C)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: 8.5502 ± 0.0012 Å
• b: 10.4355 ± 0.0013 Å
• c: 12.9041 ± 0.0019 Å
• α: 103.143 ± 0.006°
• β: 90.911 ± 0.007°
• γ: 97.951 ± 0.006°
• Cell volume: 1109.1 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No