Information card for entry 7106565

Structure parameters

• Common name: Ar'Ga{CH2CH(Ph)}2GaAr'
• Formula: C76 H90 Ga2
• Calculated formula: C76 H90 Ga2
• SMILES: c1c(c2c(cccc2C(C)C)C(C)C)c([Ga]2[C@H](C[Ga](c3c(cccc3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[C@@H](C2)c2ccccc2)c2ccccc2)c(cc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Activation of olefins with low-valent gallium compounds under ambient conditions
• Authors of publication: Christine A. Caputo; Zhongliang Zhu; Zachary D. Brown; James C. Fettinger; Philip P. Power; 'Philip Power
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7506
• a: 11.216 ± 0.007 Å
• b: 11.335 ± 0.007 Å
• c: 24.561 ± 0.015 Å
• α: 90°
• β: 94.241 ± 0.011°
• γ: 90°
• Cell volume: 3114 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No