Information card for entry 7042762

Structure parameters

• Formula: C57 H44 Cu F6 N2 O1.25 P3
• Calculated formula: C57 H44 Cu F6 N2 O1.25 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: 22.6154 ± 0.0014 Å
• b: 20.0116 ± 0.0012 Å
• c: 21.8373 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9882.9 ± 1.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections: 0.153
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0589
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No