Information card for entry 4331798

Structure parameters

• Formula: C11 H16 Ga I3 N2 O2
• Calculated formula: C11 H16 Ga I3 N2 O2
• SMILES: C1(N2C(=C3N1C(CO3)(C)C)OCC2(C)C)=[Ga](I)(I)I
• 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: 9.5949 ± 0.0004 Å
• b: 11.7875 ± 0.0004 Å
• c: 15.4661 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1749.21 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No