Information card for entry 4083915

Structure parameters

• Formula: C24 H33 Cl Hf
• Calculated formula: C24 H33 Cl Hf
• SMILES: [c]12([c]3([c]4([c]56[c]7([c]8([c]9([c]15[Hf]15%10%112346789([c]2([c]1([c]5([c]%11([c]%102C)C)C)C)C)Cl)C)C)C)C)C)C
• Title of publication: Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene
• Authors of publication: Chadwick, F. Mark; Cooper, Robert T.; Ashley, Andrew E.; Buffet, Jean-Charles; O’Hare, Dermot M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3775
• a: 8.7602 ± 0.0001 Å
• b: 15.9512 ± 0.0003 Å
• c: 15.6731 ± 0.0003 Å
• α: 90°
• β: 101.685 ± 0.0008°
• γ: 90°
• Cell volume: 2144.7 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 4
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No