Information card for entry 7712374

Structure parameters

• Formula: C36 H46 Br Ga N2 O2
• Calculated formula: C36 H46 Br Ga N2 O2
• SMILES: Br[Ga]123[N](=Cc4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)c1ccccc1[N]3=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C
• Title of publication: Group 13 Salphen compounds (In, Ga and Al): A comparison of their structural features and activities as catalysts for cyclic carbonate synthesis
• Authors of publication: Jaraba Cabrera, Diego; Lewis, Ryan; Díez-Poza, Carlos; Alvarez-Miguel, Lucia; Mosquera, Marta Elena Gonzalez; Hamilton, Alex; Whiteoak, Christopher J.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.7269 ± 0.0004 Å
• b: 12.7417 ± 0.0006 Å
• c: 14.5254 ± 0.0007 Å
• α: 84.461 ± 0.002°
• β: 78.992 ± 0.002°
• γ: 71.35 ± 0.002°
• Cell volume: 1673.11 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No