Information card for entry 7704896

Structure parameters

• Formula: C31 H52 Cl2 Ga N3
• Calculated formula: C31 H52 Cl2 Ga N3
• SMILES: [Ga](Cl)(Cl)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)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: 15.2164 ± 0.0001 Å
• b: 10.8601 ± 0.0001 Å
• c: 19.7874 ± 0.0002 Å
• α: 90°
• β: 92.335 ± 0.001°
• γ: 90°
• Cell volume: 3267.18 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.033
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No