Information card for entry 4073329

Structure parameters

• Formula: C11 H20 Cl3 Ga N2
• Calculated formula: C11 H20 Cl3 Ga N2
• SMILES: [Ga](Cl)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)(Cl)Cl
• Title of publication: Synthesis, Characterization, and Structure of [GaCl3(NHC)] Complexes
• Authors of publication: Marion, Nicolas; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Stevens, Edwin D.; Fensterbank, Louis; Malacria, Max; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3256
• a: 9.3044 ± 0.0014 Å
• b: 9.5428 ± 0.0014 Å
• c: 10.446 ± 0.0016 Å
• α: 100.038 ± 0.003°
• β: 94.926 ± 0.003°
• γ: 117.304 ± 0.002°
• Cell volume: 796.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No