Information card for entry 7704890

Structure parameters

• Formula: C47 H70 Ga N3
• Calculated formula: C47 H70 Ga N3
• SMILES: [GaH2](=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)C1N(c2c(cccc2C(C)C)C(C)C)C(CC1(C)C)(C)C
• Title of publication: N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.
• Authors of publication: Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 11108 - 11119
• a: 10.5387 ± 0.0001 Å
• b: 12.5325 ± 0.0001 Å
• c: 18.4981 ± 0.0001 Å
• α: 100.081 ± 0.001°
• β: 99.022 ± 0.001°
• γ: 112.962 ± 0.001°
• Cell volume: 2145.48 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No