Information card for entry 7709616

Structure parameters

• Formula: C15 H25 Cl4 Ga N2
• Calculated formula: C15 H25 Cl4 Ga N2
• SMILES: [Ga](Cl)(Cl)(Cl)[Cl-].[NH+](=C(NC(C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: Synthesis and computational aspects of Al(II)-Al(II) and Ga(II)-Ga(II) dihalides based on an amidinate scaffold
• Authors of publication: Roesky, Herbert W.; Kumar, Arun; Banerjee, Samya; Sharma, Nishant; Nazish, Mohd; Graw, Nico; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.412 ± 0.002 Å
• b: 15.856 ± 0.003 Å
• c: 15.903 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2121.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0182
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No