Information card for entry 7232709

Structure parameters

• Formula: C47 H39 Cl2 Cu F6 N O P3 S
• Calculated formula: C47 H39 Cl2 Cu F6 N O P3 S
• Title of publication: [Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines
• Authors of publication: Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 13646
• a: 10.5738 ± 0.001 Å
• b: 12.4356 ± 0.0012 Å
• c: 18.8853 ± 0.0017 Å
• α: 71.646 ± 0.003°
• β: 75.679 ± 0.003°
• γ: 70.826 ± 0.003°
• Cell volume: 2197.3 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No