Information card for entry 4075423

Structure parameters

• Common name: bisbiphenyl cyclopentadienyl zirconate
• Chemical name: bis(2,2'-biphenyldiyl cyclopentadienyl zirconate lithium
• Formula: C47 H53 Li O4.5 Zr
• Calculated formula: C47 H53 Li O4.5 Zr
• 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: 19.2821 ± 0.0017 Å
• b: 14.6363 ± 0.0013 Å
• c: 15.0442 ± 0.0013 Å
• α: 90°
• β: 106.65 ± 0.002°
• γ: 90°
• Cell volume: 4067.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No