Information card for entry 4102317

Structure parameters

• Formula: C76 H78 O4 Zr
• Calculated formula: C76 H78 O4 Zr
• Title of publication: Stereospecific Octahedral Group 4 Bis(phenolate) Ether Complexes for Olefin Polymerization
• Authors of publication: Elizabeth T. Kiesewetter; Sören Randoll; Madalyn Radlauer; Robert M. Waymouth
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5566 - 5567
• a: 11.309 ± 0.002 Å
• b: 24.952 ± 0.005 Å
• c: 21.872 ± 0.004 Å
• α: 90°
• β: 99.339 ± 0.003°
• γ: 90°
• Cell volume: 6090 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No