Information card for entry 7709617

Structure parameters

• Formula: C76 H94 Al2 I2 N4
• Calculated formula: C76 H94 Al2 I2 N4
• 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: 14.825 ± 0.002 Å
• b: 10.706 ± 0.002 Å
• c: 22.175 ± 0.003 Å
• α: 90°
• β: 93.54 ± 0.02°
• γ: 90°
• Cell volume: 3512.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No