Information card for entry 7111445

Structure parameters

• Formula: C33.5 H49 N3 O2 Ti
• Calculated formula: C33.5 H49 N3 O2 Ti
• Title of publication: The surprisingly beneficial effect of soft donors on the performance of early transition metal olefin polymerisation catalysts
• Authors of publication: Oakes, Daniel C. H.; Kimberley, Brian S.; Gibson, Vernon C.; Jones, David J.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 19
• Pages of publication: 2174 - 2175
• a: 28.1195 ± 0.0008 Å
• b: 12.6087 ± 0.0007 Å
• c: 18.9179 ± 0.0013 Å
• α: 90°
• β: 94.379 ± 0.004°
• γ: 90°
• Cell volume: 6687.8 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections: 0.1226
• Weighted residual factors for significantly intense reflections: 0.1082
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No