Information card for entry 7042814

Structure parameters

• Formula: C66 H52 Cl2 N8 O2 Zn2
• Calculated formula: C66 H52 Cl2 N8 O2 Zn2
• Title of publication: Formation of exceptionally weak C‒C bonds by metal-templated pinacol coupling
• Authors of publication: Folkertsma, E.; Benthem, S. H.; Witteman, L.; van Slagmaat, C. A. M. R.; Lutz, M.; Klein Gebbink, R. J. M.; Moret, M.-E.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.6545 ± 0.0004 Å
• b: 12.7083 ± 0.0006 Å
• c: 15.0735 ± 0.0006 Å
• α: 67.7 ± 0.002°
• β: 72.709 ± 0.002°
• γ: 79.513 ± 0.002°
• Cell volume: 1797.43 ± 0.13 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No