Information card for entry 7715287

Structure parameters

• Formula: C63 H69 Cu F6 N2 O2.5 P3
• Calculated formula: C57 H54 Cu F6 N2 O P3
• 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: 11.1185 ± 0.0002 Å
• b: 15.4476 ± 0.0003 Å
• c: 18.7346 ± 0.0004 Å
• α: 111.777 ± 0.002°
• β: 92.067 ± 0.002°
• γ: 110.669 ± 0.001°
• Cell volume: 2743.64 ± 0.11 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: 0.1396
• Residual factor for significantly intense reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.26
• Weighted residual factors for all reflections included in the refinement: 0.2708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No