Information card for entry 4066539

Structure parameters

• Chemical name: Ti{PhCH2N(CH2CH2NTs)2}(NMe2)2
• Formula: C35 H47 N5 O4 S2 Ti
• Calculated formula: C35 H47 N5 O4 S2 Ti
• Title of publication: Ligand Variations in New Sulfonamide-Supported Group 4 Ring-Opening Polymerization Catalysts
• Authors of publication: Schwarz, Andrew D.; Herbert, Katherine R.; Paniagua, Cristina; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4171
• a: 8.3514 ± 0.0002 Å
• b: 28.2936 ± 0.0005 Å
• c: 15.3443 ± 0.0003 Å
• α: 90°
• β: 94.2902 ± 0.0008°
• γ: 90°
• Cell volume: 3615.56 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No