Information card for entry 4309391

Structure parameters

• Formula: C36 H58 Cl2 N2 O2 Zr
• Calculated formula: C36 H58 Cl2 N2 O2 Zr
• Title of publication: "Oxidative Addition" to a Zirconium(IV) Redox-Active Ligand Complex
• Authors of publication: Karen J. Blackmore; Joseph W. Ziller; Alan F. Heyduk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5559 - 5561
• a: 21.061 ± 0.002 Å
• b: 9.5915 ± 0.001 Å
• c: 18.717 ± 0.002 Å
• α: 90°
• β: 94.929 ± 0.002°
• γ: 90°
• Cell volume: 3767 ± 0.7 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No