Information card for entry 4069138

Structure parameters

• Formula: C36 H54 Si2 Zr
• Calculated formula: C36 H54 Si2 Zr
• SMILES: [Zr]123456789([cH]%10[c]%111[c]2(c(c(c(c%11C)C)C)C)[c]13[c]4%10c(c(c(c1C)C)C)C)(CC(C)C)[cH]1[c]5([cH]6[cH]7[c]81[Si](C)(C)C9)[Si](C)(C)C
• Title of publication: Octa- and Nonamethylfluorenyl Complexes of Zirconium(IV): Reactive Hydride Derivatives and Reversible Hydrogen Migration between the Metal and the Fluorenyl Ligand
• Authors of publication: Bazinet, Patrick; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2285
• a: 10.7773 ± 0.0014 Å
• b: 20.796 ± 0.003 Å
• c: 15.51 ± 0.002 Å
• α: 90°
• β: 102.11 ± 0.013°
• γ: 90°
• Cell volume: 3398.8 ± 0.8 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 ± 2 K
• Number of distinct elements: 4
• 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: 0.0982
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No