Information card for entry 4344907

Structure parameters

• Formula: C84 H135 Li3 O3
• Calculated formula: C84 H135 Li3 O3
• Title of publication: Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.
• Authors of publication: Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 6643 - 6652
• a: 38.929 ± 0.01 Å
• b: 12.248 ± 0.003 Å
• c: 33.721 ± 0.008 Å
• α: 90°
• β: 108.362 ± 0.004°
• γ: 90°
• Cell volume: 15260 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.1643
• Weighted residual factors for significantly intense reflections: 0.3058
• Weighted residual factors for all reflections included in the refinement: 0.3236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.388
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No