Information card for entry 7715289

Structure parameters

• Formula: C65 H56 Cu F6 N2 O P3
• Calculated formula: C65 H56 Cu F6 N2 O P3
• SMILES: [Cu]12([P](c3c4Oc5c(C(c4ccc3)(C)C)cccc5[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(c3[n]2c(CCc2ccccc2)ccc3)cccc1CCc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]⁺ complexes.
• Authors of publication: Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5453 - 5465
• a: 11.9248 ± 0.0002 Å
• b: 12.5855 ± 0.0002 Å
• c: 18.3632 ± 0.0003 Å
• α: 83.142 ± 0.001°
• β: 77.571 ± 0.001°
• γ: 85.196 ± 0.001°
• Cell volume: 2667.3 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No