Information card for entry 7707856

Structure parameters

• Chemical name: Copper(I) [2-(2-diphenylphosphanylphenoxy)phenyl] -diphenylphosphane, 2,2'-di(pyridin-2-yl)sulfane] hexafluorophosphate
• Formula: C47 H38 Cl2 Cu F6 N2 O P3 S
• Calculated formula: C47 H38 Cl2 Cu F6 N2 O P3 S
• Title of publication: Towards rainbow photo/electro-luminescence in copper(i) complexes with the versatile bridged bis-pyridyl ancillary ligand.
• Authors of publication: Mahoro, Gilbert Umuhire; Fresta, Elisa; Elie, Margaux; di Nasso, Davide; Zhang, Qi; Lohier, Jean-François; Renaud, Jean-Luc; Linares, Mathieu; Wannemacher, Reinhold; Cabanillas-Gonzalez, Juan; Costa, Rubén D; Gaillard, Sylvain
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 32
• Pages of publication: 11049 - 11060
• a: 12.1153 ± 0.0007 Å
• b: 12.4627 ± 0.0007 Å
• c: 16.4049 ± 0.0009 Å
• α: 75.887 ± 0.002°
• β: 89.566 ± 0.002°
• γ: 68.532 ± 0.002°
• Cell volume: 2226.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0816
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No