Information card for entry 7043300

Structure parameters

• Formula: C90 H120 N4 O8 Zr2
• Calculated formula: C90 H120 N4 O8 Zr2
• 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: 60.365 ± 0.005 Å
• b: 17.1143 ± 0.0015 Å
• c: 25.466 ± 0.002 Å
• α: 90°
• β: 106.395 ± 0.001°
• γ: 90°
• Cell volume: 25239 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No