Information card for entry 7111444

Structure parameters

• Formula: C37 H45 N O Zr
• Calculated formula: C37 H45 N O Zr
• SMILES: [Zr]1(Oc2c(cc(cc2CN1c1c(cccc1C)C)C(C)(C)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1
• 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: 13.2413 ± 0.0015 Å
• b: 14.9424 ± 0.0015 Å
• c: 16.766 ± 0.002 Å
• α: 90°
• β: 101.462 ± 0.008°
• γ: 90°
• Cell volume: 3251.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No