Information card for entry 7042810

Structure parameters

• Formula: C34 H28 Cl4 Fe N4 O
• Calculated formula: C34 H28 Cl4 Fe N4 O
• 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: 19.4368 ± 0.0005 Å
• b: 17.2451 ± 0.0004 Å
• c: 10.5985 ± 0.0003 Å
• α: 90°
• β: 115.884 ± 0.002°
• γ: 90°
• Cell volume: 3196.12 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No