Information card for entry 7036457

Structure parameters

• Formula: C36 H49 Ga N2 O3 S
• Calculated formula: C36 H49 Ga N2 O3 S
• SMILES: [GaH]1(OS(=O)(=O)c2ccc(cc2)C)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis of substituted β-diketiminate gallium hydrides via oxidative addition of H-O bonds.
• Authors of publication: Herappe-Mejía, Eduardo; Trujillo-Hernández, Karla; Carlos Garduño-Jiménez, Juan; Cortés-Guzmán, Fernando; Martínez-Otero, Diego; Jancik, Vojtech
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16894 - 16902
• a: 13.3128 ± 0.0005 Å
• b: 16.2936 ± 0.0007 Å
• c: 16.3509 ± 0.0007 Å
• α: 90°
• β: 102.395 ± 0.0009°
• γ: 90°
• Cell volume: 3464.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No