Information card for entry 4080779

Structure parameters

• Formula: C35 H52 Cl2 Hf N2 O3
• Calculated formula: C35 H52 Cl2 Hf N2 O3
• Title of publication: Neutral and Cationic N-Heterocyclic Carbene Zirconium and Hafnium Benzyl Complexes: Highly Regioselective Oligomerization of 1-Hexene with a Preference for Trimer Formation
• Authors of publication: Dagorne, Samuel; Bellemin-Laponnaz, Stéphane; Romain, Charles
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2736
• a: 17.0049 ± 0.0007 Å
• b: 14.433 ± 0.0006 Å
• c: 17.7271 ± 0.0007 Å
• α: 90°
• β: 113.196 ± 0.001°
• γ: 90°
• Cell volume: 3999.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No