Information card for entry 4069136

Structure parameters

• Formula: C33 H50 Si2 Zr
• Calculated formula: C33 H50 Si2 Zr
• SMILES: [ZrH]123456789%10%11([c]%12([c]%131C(C2([C]3(=[C]4([c]5%13[c]16c(c(c(c([c]7%121)C)C)C)C)C)C)C)C)C)[cH]1[c]8([Si](C)(C)C)[cH]9[cH]%10[c]%111[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: 9.926 ± 0.002 Å
• b: 9.966 ± 0.002 Å
• c: 16.895 ± 0.004 Å
• α: 96.454 ± 0.003°
• β: 92.927 ± 0.003°
• γ: 104.927 ± 0.003°
• Cell volume: 1599.1 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No