Information card for entry 7110607

Structure parameters

• Common name: [Bert*Ga(mu-OH)Cl]2 2 C6H6
• Formula: C84 H112 Cl2 Ga2 O2
• Calculated formula: C84 H112 Cl2 Ga2 O2
• SMILES: c1c(C(C)C)c(c2c([Ga]3(Cl)[OH][Ga](c4c(cccc4c4c(cc(cc4C(C)C)C(C)C)C(C)C)c4c(cc(cc4C(C)C)C(C)C)C(C)C)([OH]3)Cl)c(ccc2)c2c(cc(cc2C(C)C)C(C)C)C(C)C)c(cc1C(C)C)C(C)C.c1ccccc1.c1ccccc1
• Title of publication: Characterization of 2,6-Trip2H3C6GaCl2, {2,6-Trip2H3C6InCl(μ-Cl)}2 and {2,6-Trip2H3C6GaCl(μ-OH)}2 (Trip = 2,4,6-triisopropylphenyl)
• Authors of publication: Twamley, Brendan; Power, Philip P.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1805
• a: 14.2605 ± 0.001 Å
• b: 15.9037 ± 0.001 Å
• c: 18.0905 ± 0.0012 Å
• α: 90°
• β: 108.613 ± 0.002°
• γ: 90°
• Cell volume: 3888.2 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• 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: 0.1533
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No