Information card for entry 4063853

Structure parameters

• Formula: C32 H40 Cl2 Zr
• Calculated formula: C32 H40 Cl2 Zr
• SMILES: [c]123[c]4([Zr]356789%10%11([c]1([c]8([c]4%10CC[c]15[c]36c(c(c(c([c]3%11[c]7([c]91C)C)C)C)C)C)C)C)(Cl)Cl)c(c(c(c2C)C)C)C
• Title of publication: Synthesis, Characterization, and Polymerization Studies of Ethylenebis(hexamethylindenyl) Complexes of Zirconium and Hafnium
• Authors of publication: Ransom, Paul; Ashley, Andrew E.; Brown, N. David; Thompson, Amber L.; O’Hare, Dermot
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 800
• a: 25.475 ± 0.0005 Å
• b: 8.232 ± 0.0002 Å
• c: 16.448 ± 0.0004 Å
• α: 90°
• β: 129.525 ± 0.001°
• γ: 90°
• Cell volume: 2660.61 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No