Information card for entry 4070933

Structure parameters

• Formula: C35 H48 O2 Si2 Zr
• Calculated formula: C35 H48 O2 Si2 Zr
• SMILES: [Zr]12345678([c]9([c]%101c(c(c(c([c]2%10[c]13c(c(c(c([c]491)C)C)C)C)C)C)C)C)C)(C#[O])(C#[O])[c]1([cH]8[cH]7[c]6([Si](C)(C)C)[cH]51)[Si](C)(C)C
• Title of publication: Octa- and Nonamethylfluorenyl Complexes of Zr(II), Zr(IV), and Hf(IV). Investigation of Steric and Electronic Effects
• Authors of publication: Bazinet, Patrick; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1267
• a: 13.5735 ± 0.0019 Å
• b: 16.06 ± 0.002 Å
• c: 15.706 ± 0.002 Å
• α: 90°
• β: 100.134 ± 0.002°
• γ: 90°
• Cell volume: 3370.3 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No