Information card for entry 7042815

Structure parameters

• Formula: C139 H118 Cl10 Fe4 N16 O5
• Calculated formula: C139 H118 Cl10 Fe4 N16 O5
• 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: 14.2435 ± 0.0003 Å
• b: 17.6941 ± 0.0006 Å
• c: 25.672 ± 0.0007 Å
• α: 90°
• β: 103.152 ± 0.002°
• γ: 90°
• Cell volume: 6300.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No