Information card for entry 1558989

Structure parameters

• Formula: C62 H94 Co F9 N4 P4 Zr
• Calculated formula: C62 H94 Co F9 N4 P4 Zr
• Title of publication: Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center
• Authors of publication: Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 15.3643 ± 0.0008 Å
• b: 19.0177 ± 0.001 Å
• c: 22.7503 ± 0.0011 Å
• α: 90°
• β: 95.377 ± 0.002°
• γ: 90°
• Cell volume: 6618.2 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No