Information card for entry 4331800

Structure parameters

• Formula: C5 H8 Cl3 Ga N2
• Calculated formula: C5 H8 Cl3 Ga N2
• SMILES: C1(N(C=CN1C)C)=[Ga](Cl)(Cl)Cl
• Title of publication: Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands
• Authors of publication: Ahmad El-Hellani; Julien Monot; Régis Guillot; Christophe Bour; Vincent Gandon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 506 - 514
• a: 14.4493 ± 0.0007 Å
• b: 10.1648 ± 0.0004 Å
• c: 14.2848 ± 0.0006 Å
• α: 90°
• β: 110.969 ± 0.001°
• γ: 90°
• Cell volume: 1959.12 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No