Information card for entry 7704893

Structure parameters

• Formula: C27 H41 Ga N2
• Calculated formula: C27 H41 Ga N2
• SMILES: [GaH3]=C1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(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: 12.6504 ± 0.0002 Å
• b: 15.3371 ± 0.0003 Å
• c: 15.5035 ± 0.0003 Å
• α: 63.215 ± 0.002°
• β: 86.682 ± 0.002°
• γ: 83.655 ± 0.002°
• Cell volume: 2668.69 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No