Information card for entry 4063855

Structure parameters

• Formula: C32 H40 Cl2 Hf
• Calculated formula: C32 H40 Cl2 Hf
• SMILES: [c]12([c]3([c]45c(c(c(c([c]64[c]41CC[c]17[Hf]89%1023564(Cl)([c]1([c]%10([c]19[c]78c(c(c(c1C)C)C)C)C)C)Cl)C)C)C)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: 25.4431 ± 0.0003 Å
• b: 8.2319 ± 0.0002 Å
• c: 16.4078 ± 0.0003 Å
• α: 90°
• β: 129.466 ± 0.0007°
• γ: 90°
• Cell volume: 2653 ± 0.09 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: 0.0257
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for all reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No