Information card for entry 4107488

Structure parameters

• Formula: C42 H60 Cl2 N2 O4 Zr
• Calculated formula: C42 H60 Cl2 N2 O4 Zr
• Title of publication: Catalytic Reactivity of a Zirconium(IV) Redox-Active Ligand Complex with 1,2-Diphenylhydrazine
• Authors of publication: Karen J. Blackmore; Neetu Lal; Joseph W. Ziller; Alan F. Heyduk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2728 - 2729
• a: 22.584 ± 0.005 Å
• b: 9.846 ± 0.002 Å
• c: 18.559 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4126.8 ± 1.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No