Information card for entry 1557224

Structure parameters

• Formula: C49 H36 Br2 Cl2 Cu F6 N2 O P3
• Calculated formula: C48 H34 Br2 Cu F6 N2 O P3
• Title of publication: Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands
• Authors of publication: Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.
• Journal of publication: Inorganics
• Year of publication: 2020
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 4
• a: 12.4032 ± 0.0009 Å
• b: 18.9805 ± 0.0014 Å
• c: 22.0591 ± 0.0017 Å
• α: 70.33 ± 0.003°
• β: 77.791 ± 0.003°
• γ: 87.292 ± 0.003°
• Cell volume: 4777.9 ± 0.6 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: 0.035
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No