Information card for entry 1557227

Structure parameters

• Formula: C52.1 H40.2 Br2 Cl2.2 Cu F6 N2 O P3
• Calculated formula: C51 H38 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: 33.3182 ± 0.0016 Å
• b: 14.105 ± 0.0006 Å
• c: 11.8205 ± 0.0005 Å
• α: 90°
• β: 102.059 ± 0.004°
• γ: 90°
• Cell volume: 5432.5 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 9
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No