Information card for entry 7039528

Structure parameters

• Formula: C54 H47 B F15 Ga N2 O
• Calculated formula: C54 H47 B F15 Ga N2 O
• SMILES: [Ga]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(c1c(F)c(F)c(F)c(F)c1F)C(OB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
• Title of publication: Lewis acid-base adducts of group 13 elements: synthesis, structure and reactivity toward benzaldehyde.
• Authors of publication: Ganesamoorthy, C.; Matthias, M.; Bläser, D; Wölper, C; Schulz, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11437 - 11444
• a: 12.2876 ± 0.0008 Å
• b: 20.8316 ± 0.0013 Å
• c: 20.7404 ± 0.0012 Å
• α: 90°
• β: 107.336 ± 0.003°
• γ: 90°
• Cell volume: 5067.8 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.1115
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No