Information card for entry 4087395

Structure parameters

• Formula: C25 H25 Cl3 N2 Ti
• Calculated formula: C25 H25 Cl3 N2 Ti
• SMILES: [Ti]1(Cl)(Cl)(Cl)[n]2c3c(N1c1c(cc(cc1C)C)C)cccc3ccc2C.c1ccccc1
• Title of publication: Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity
• Authors of publication: Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1354
• a: 10.1358 ± 0.0002 Å
• b: 11.327 ± 0.0003 Å
• c: 11.8363 ± 0.0003 Å
• α: 69.349 ± 0.001°
• β: 75.133 ± 0.001°
• γ: 80.565 ± 0.001°
• Cell volume: 1224.96 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No