Information card for entry 7042764

Structure parameters

• Formula: C65 H51 Cl2 Cu F6 N2 O1.5 P3
• Calculated formula: C65 H51 Cl2 Cu F6 N2 O1.5 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: 23.5648 ± 0.0017 Å
• b: 43.959 ± 0.003 Å
• c: 12.3463 ± 0.0009 Å
• α: 90°
• β: 94.788 ± 0.003°
• γ: 90°
• Cell volume: 12744.7 ± 1.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 0.1531
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0572
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No