Information card for entry 4069139

Structure parameters

• Formula: C32 H52 Si2 Zr
• Calculated formula: C32 H52 Si2 Zr
• SMILES: [ZrH]123456789%10%11([cH]%12[c]%131[C@@H]([C@@H]([C@@H]([C@@H]([c]2%13[c]13C(C4([C]5(=[C]6([c]7%121)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.[ZrH]123456789%10%11([cH]%12[c]%131[C@H]([C@H]([C@H]([C@H]([c]2%13[c]13C(C4([C]5(=[C]6([c]7%121)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: 9.7083 ± 0.0007 Å
• b: 16.2335 ± 0.0012 Å
• c: 20.6841 ± 0.0015 Å
• α: 90°
• β: 98.239 ± 0.001°
• γ: 90°
• Cell volume: 3226.2 ± 0.4 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No