Information card for entry 1558185

Structure parameters

• Formula: C47 H37 Cl Cu F6 N2 O P3
• Calculated formula: C47 H37 Cl Cu F6 N2 O P3
• Title of publication: Chimera Diimine Ligands in Emissive [Cu(P^P)(N^N)][PF6] Complexes
• Authors of publication: Meyer, Marco; Brunner, Fabian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.
• Journal of publication: Inorganics
• Year of publication: 2020
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 33
• a: 10.4786 ± 0.0003 Å
• b: 18.9864 ± 0.0004 Å
• c: 22.1096 ± 0.0005 Å
• α: 90°
• β: 100.077 ± 0.002°
• γ: 90°
• Cell volume: 4330.87 ± 0.18 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0315
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No