Information card for entry 4331803

Structure parameters

• Formula: C24 H36 Cl10 Ga2 N4 O4
• Calculated formula: C24 H36 Cl10 Ga2 N4 O4
• SMILES: C1(N2C(COC2=C2N1C(CO2)(C)C)(C)C)=[Ga](=C1N2C(COC2=C2N1C(CO2)(C)C)(C)C)(Cl)Cl.C(Cl)Cl.C(Cl)Cl.Cl[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: 22.605 ± 0.005 Å
• b: 13.272 ± 0.005 Å
• c: 12.436 ± 0.005 Å
• α: 90°
• β: 91.346 ± 0.005°
• γ: 90°
• Cell volume: 3730 ± 2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No