Information card for entry 7004961

Structure parameters

• Formula: C75 H123 Ga3
• Calculated formula: C75 H123 Ga3
• SMILES: C1(=C\C(C)(C)C)\c2cc3/C(=C\C(C)(C)C)[Ga](/C(=C/C(C)(C)C)c4cc(C(=C\C(C)(C)C)/[Ga]1CCC)cc(C(=C\C(C)(C)C)/[Ga](C(=C\C(C)(C)C)\c(c3)c2)CCC)c4)CCC.C1CCCCC1.C1CCCC1.C1CCCC1.C1CCCC1
• Title of publication: The reactions of dialkylgallium hydrides with tert-butylethynylbenzenes‒a systematic investigation into the course of hydrogallation reactions.
• Authors of publication: Uhl, Werner; Claesener, Michael; Haddadpour, Sima; Jasper, Beate; Hepp, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 417 - 423
• a: 17.6535 ± 0.0003 Å
• b: 17.6535 ± 0.0003 Å
• c: 25.9914 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7014.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No