Information card for entry 7232714

Structure parameters

• Formula: C48 H39 Cu F6 N O P3 S
• Calculated formula: C48 H39 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: 10.5055 ± 0.0013 Å
• b: 21.487 ± 0.003 Å
• c: 19.094 ± 0.002 Å
• α: 90°
• β: 95.118 ± 0.004°
• γ: 90°
• Cell volume: 4292.9 ± 0.9 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9592
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No