Information card for entry 4086698

Structure parameters

• Formula: C37 H43 Ga N2 O
• Calculated formula: C37 H43 Ga N2 O
• SMILES: [Ga](OC(C)(c1ccccc1)c1ccccc1)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C
• Title of publication: Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium
• Authors of publication: Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 19
• Pages of publication: 3311
• a: 10.5245 ± 0.0009 Å
• b: 16.059 ± 0.002 Å
• c: 19.983 ± 0.003 Å
• α: 74.295 ± 0.011°
• β: 87.362 ± 0.009°
• γ: 81.497 ± 0.009°
• Cell volume: 3215.5 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0666
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No