Information card for entry 4082192

Structure parameters

• Formula: C66.5 H82 F10 N4 O4 Zn2
• Calculated formula: C66.5 H82 F10 N4 O4 Zn2
• Title of publication: Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes
• Authors of publication: Jochmann, Phillip; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7503
• a: 13.7145 ± 0.0014 Å
• b: 16.2277 ± 0.0018 Å
• c: 16.6177 ± 0.0018 Å
• α: 79.632 ± 0.004°
• β: 76.84 ± 0.004°
• γ: 66.213 ± 0.003°
• Cell volume: 3279.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No