Information card for entry 1566038

Structure parameters

• Formula: C56 H45 Cu F6 N2 O1.5 P3
• Calculated formula: C56 H45 Cu F6 N2 O1.5 P3
• Title of publication: Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline
• Authors of publication: Arnosti, Nina; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin; Housecroft, Catherine
• Journal of publication: Crystals
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 185
• a: 11.4728 ± 0.0003 Å
• b: 14.2115 ± 0.0004 Å
• c: 16.0992 ± 0.0004 Å
• α: 92.018 ± 0.002°
• β: 91.054 ± 0.002°
• γ: 112.546 ± 0.002°
• Cell volume: 2421.34 ± 0.12 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: 0.0468
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No