Information card for entry 1557226

Structure parameters

• Formula: C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3
• Calculated formula: C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 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: 10.1768 ± 0.0008 Å
• b: 13.7504 ± 0.0011 Å
• c: 20.1505 ± 0.0016 Å
• α: 90.204 ± 0.002°
• β: 98.12 ± 0.002°
• γ: 99.535 ± 0.002°
• Cell volume: 2751.9 ± 0.4 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: 0.0391
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No