Information card for entry 4075424

Structure parameters

• Common name: trisbiphyzirconate
• Chemical name: tris(2,2'-biphenyldiyl)zirconate lithium
• Formula: C68 H86 Li2 O8 Zr
• Calculated formula: C68 H86 Li2 O8 Zr
• SMILES: c12ccccc1c1c(cccc1)[Zr]132(c2c(cccc2)c2c3cccc2)c2ccccc2c2c1cccc2.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Four Homologous Zirconium 2,2‘-Biphenyldiyls: Synthesis, Structure, and Reactivity
• Authors of publication: Hilton, Cameron L.; King, Benjamin T.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4058
• a: 28.632 ± 0.01 Å
• b: 13.128 ± 0.005 Å
• c: 21.206 ± 0.007 Å
• α: 90°
• β: 131.001 ± 0.008°
• γ: 90°
• Cell volume: 6016 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0761
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.542
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No