Information card for entry 7046380

Structure parameters

• Formula: C46 H34 Cl2 Cu F6 N2 O P3
• Calculated formula: C46 H34 Cl2 Cu F6 N2 O P3
• Title of publication: Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.
• Authors of publication: Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 40
• Pages of publication: 14263 - 14276
• a: 10.4351 ± 0.0006 Å
• b: 18.8158 ± 0.001 Å
• c: 22.331 ± 0.0012 Å
• α: 90°
• β: 99.434 ± 0.004°
• γ: 90°
• Cell volume: 4325.3 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.099
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections: 0.1949
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9366
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No