Information card for entry 4070935

Structure parameters

• Formula: C33 H48 Cl2 Si2 Zr
• Calculated formula: C33 H48 Cl2 Si2 Zr
• SMILES: [Zr]12345678(Cl)([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)(Cl)[cH]1[c]5([Si](C)(C)C)[cH]6[cH]7[c]81[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: 15.7039 ± 0.0016 Å
• b: 13.2091 ± 0.0014 Å
• c: 32.361 ± 0.003 Å
• α: 90°
• β: 101.991 ± 0.002°
• γ: 90°
• Cell volume: 6566.3 ± 1.1 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No