Information card for entry 4342147

Structure parameters

• Formula: C48 H64 Ga4 N8
• Calculated formula: C48 H64 Ga4 N8
• SMILES: C[Ga]12N(C(=[N]1C(C)(C)C)c1ccccc1)[Ga]1(C)[N](=C(c3ccccc3)N1[Ga]1(C)N(C(=[N]1C(C)(C)C)c1ccccc1)[Ga]1(N2C(=[N]1C(C)(C)C)c1ccccc1)C)C(C)(C)C
• 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: 23.0044 ± 0.0006 Å
• b: 11.38343 ± 0.00019 Å
• c: 23.2147 ± 0.0008 Å
• α: 90°
• β: 117.671 ± 0.004°
• γ: 90°
• Cell volume: 5383.9 ± 0.3 ų
• Cell temperature: 149.8 ± 0.8 K
• Ambient diffraction temperature: 149.8 ± 0.8 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No