Information card for entry 4113510

Structure parameters

• Common name: Ar*GaB(C6F5)3
• Formula: C54 H49 B F15 Ga
• Calculated formula: C54 H49 B F15 Ga
• SMILES: [Ga]1([B](c2c([F]1)c(F)c(F)c(F)c2F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Structures, Bonding, and Reaction Chemistry of the Neutral Organogallium(I) Compounds (GaAr)n (n= 1 or 2) (Ar = Terphenyl or Related Ligand): An Experimental Investigation of Ga-Ga Multiple Bonding
• Authors of publication: Ned J. Hardman; Robert J. Wright; Andrew D. Phillips; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2667 - 2679
• a: 12.446 ± 0.002 Å
• b: 18.815 ± 0.004 Å
• c: 20.58 ± 0.004 Å
• α: 90°
• β: 92.692 ± 0.006°
• γ: 90°
• Cell volume: 4813.9 ± 1.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 5
• 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: 0.0849
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No