Information card for entry 7042813

Structure parameters

• Formula: C36 H33 Cl3 Fe N4 O1.5
• Calculated formula: C36 H33 Cl3 Fe N4 O1.5
• 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: 9.1793 ± 0.0004 Å
• b: 12.1666 ± 0.0005 Å
• c: 15.4997 ± 0.0006 Å
• α: 96.363 ± 0.002°
• β: 102.112 ± 0.002°
• γ: 100.294 ± 0.002°
• Cell volume: 1645.33 ± 0.12 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: 0.0702
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No