Information card for entry 4342148

Structure parameters

• Formula: C50 H82 Ga2 N6
• Calculated formula: C50 H82 Ga2 N6
• SMILES: [Ga]12(NC(=[N]([Ga](N1/C(=N/c1c(C(C)C)cccc1C(C)C)C)(NC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(C(C)C)cccc1C(C)C)C)C.CCCCCC
• Title of publication: Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.
• Authors of publication: Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 2000 - 2008
• a: 13.58929 ± 0.00015 Å
• b: 18.9059 ± 0.0002 Å
• c: 20.0649 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5155.03 ± 0.09 ų
• Cell temperature: 151 K
• Ambient diffraction temperature: 151 K
• Number of distinct elements: 4
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No