Information card for entry 4113513

Structure parameters

• Common name: Ar#Li(Et2O)
• Formula: C42 H63 Li O
• Calculated formula: C42 H63 Li O
• SMILES: [O]([Li]c1c(cccc1c1c(cc(cc1C(C)C)C(C)(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)(C)C)C(C)C)(CC)CC
• 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: 9.2139 ± 0.0007 Å
• b: 16.7871 ± 0.0013 Å
• c: 24.6129 ± 0.0019 Å
• α: 90°
• β: 92.268 ± 0.002°
• γ: 90°
• Cell volume: 3804 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No