Information card for entry 4063540

Structure parameters

• Formula: C41 H48 N2 O2 Ti
• Calculated formula: C41 H48 N2 O2 Ti
• SMILES: [Ti]12(Oc3c(cc(cc3CN3C=2N(C=C3)Cc2cc(cc(c2O1)C(C)(C)C)C)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Titanium Complexes Bearing Bisaryloxy-N-heterocyclic Carbenes: Synthesis, Reactivity, and Ethylene Polymerization Study
• Authors of publication: Zhang, Dao; Liu, Nan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 499 - 505
• a: 14.831 ± 0.006 Å
• b: 15.919 ± 0.007 Å
• c: 16.986 ± 0.007 Å
• α: 110.203 ± 0.007°
• β: 93.968 ± 0.005°
• γ: 101.361 ± 0.006°
• Cell volume: 3649 ± 3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No