Information card for entry 4063542

Structure parameters

• Formula: C32 H47 N2 O2 Ti
• Calculated formula: C32 H47 N2 O2 Ti
• SMILES: [Ti]12(Oc3c(cc(cc3CN3C=2N(C=C3)Cc2c(O1)c(cc(c2)C)C(C)(C)C)C)C(C)(C)C)(C)C.CCCCCC
• 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: 8.131 ± 0.004 Å
• b: 17.61 ± 0.008 Å
• c: 22.363 ± 0.01 Å
• α: 90°
• β: 103.952 ± 0.009°
• γ: 90°
• Cell volume: 3108 ± 3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No