Information card for entry 4342144

Structure parameters

• Formula: C94 H116 Ga4 N8
• Calculated formula: C94 H116 Ga4 N8
• SMILES: C[Ga]12N3C(=[N](c4c(cccc4C(C)C)C(C)C)[Ga]3(C)N3C(=[N](c4c(cccc4C(C)C)C(C)C)[Ga]3(C)N3C(=[N](c4c(cccc4C(C)C)C(C)C)[Ga]3(C)N1C(=[N]2c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)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: 29.0426 ± 0.0012 Å
• b: 10.3599 ± 0.0004 Å
• c: 31.2885 ± 0.0017 Å
• α: 90°
• β: 98.561 ± 0.004°
• γ: 90°
• Cell volume: 9309.1 ± 0.7 ų
• Cell temperature: 120.1 ± 0.2 K
• Ambient diffraction temperature: 120.1 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No