Information card for entry 7715288

Structure parameters

• Formula: C53 H50 Cu F6 N2 O P3
• Calculated formula: C53 H50 Cu F6 N2 O P3
• SMILES: [Cu]12([P](c3ccccc3)(c3c(Oc4c([P]1(c1ccccc1)c1ccccc1)cccc4)cccc3)c1ccccc1)[n]1c(c3[n]2cccc3)cccc1CCC(CC)CC.[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: 19.4572 ± 0.0003 Å
• b: 24.5273 ± 0.0003 Å
• c: 20.2217 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9650.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No