Information card for entry 7042763

Structure parameters

• Formula: C59 H48 Cu F6 N2 O2 P3
• Calculated formula: C59 H48 Cu F6 N2 O2 P3
• Title of publication: The effects of introducing sterically demanding aryl substituents in [Cu(N^N)(P^P)]+ complexes
• Authors of publication: Housecroft, Catherine E.; Constable, Edwin C.; Brunner, Fabian; Häussinger, Daniel; Graber, Stefan; Prescimone, Alessandro; Baumgartner, Yann
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 22.2781 ± 0.0011 Å
• b: 14.7143 ± 0.0008 Å
• c: 15.4481 ± 0.0007 Å
• α: 90°
• β: 99.249 ± 0.003°
• γ: 90°
• Cell volume: 4998.2 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8433
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No