Information card for entry 4073330

Structure parameters

• Formula: C27 H36 Cl3 Ga N2
• Calculated formula: C27 H36 Cl3 Ga N2
• SMILES: [Ga](Cl)(Cl)(Cl)=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C
• 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: 18.3566 ± 0.0008 Å
• b: 16.1415 ± 0.0007 Å
• c: 20.1819 ± 0.0008 Å
• α: 90°
• β: 103.058 ± 0.001°
• γ: 90°
• Cell volume: 5825.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0264
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No