Information card for entry 7043301

Structure parameters

• Formula: C70 H88 N4 O4 Zr
• Calculated formula: C70 H88 N4 O4 Zr
• Title of publication: Coordination behavior of bis-phenolate saturated and unsaturated N-heterocyclic carbene ligands to zirconium: reactivity and activity in the copolymerization of cyclohexene oxide with CO2
• Authors of publication: Lalrempuia, Ralte; Breivik, Frida; Törnroos, Karl W.; Le Roux, Erwan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 15.231 ± 0.003 Å
• b: 15.917 ± 0.003 Å
• c: 16.457 ± 0.003 Å
• α: 96.633 ± 0.002°
• β: 102.016 ± 0.002°
• γ: 94.047 ± 0.002°
• Cell volume: 3857.7 ± 1.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No