Information card for entry 4087394

Structure parameters

• Formula: C25 H37 N5 Ti
• Calculated formula: C25 H37 N5 Ti
• SMILES: [Ti]1(N(c2cccc3c2[n]1c(cc3)C)c1c(cc(cc1C)C)C)(N(C)C)(N(C)C)N(C)C
• 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: 13.9968 ± 0.0002 Å
• b: 14.0744 ± 0.0002 Å
• c: 26.3453 ± 0.0005 Å
• α: 91.548 ± 0.001°
• β: 96.073 ± 0.001°
• γ: 101.186 ± 0.001°
• Cell volume: 5056.75 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No