Information card for entry 4083913

Structure parameters

• Formula: C24 H28 Hf
• Calculated formula: C24 H28 Hf
• SMILES: [Hf]123456789%10%11([c]%12([c]1([c]2([c]13[c]4([c]5([c]6([c]7%121)C)C)C)C)C)C)([cH]1[cH]8[cH]9[cH]%10[cH]%111)C1C=CC=C1
• 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: 8.7793 ± 0.0002 Å
• b: 8.8597 ± 0.0002 Å
• c: 14.3991 ± 0.0004 Å
• α: 75.8512 ± 0.0011°
• β: 86.5774 ± 0.001°
• γ: 62.3409 ± 0.0012°
• Cell volume: 960.02 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No