Information card for entry 7046385

Structure parameters

• Formula: C51.8 H46 Br Cu F6 N2 O1.7 P3
• Calculated formula: C51.8 H46 Br Cu F6 N2 O1.7 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: 11.0101 ± 0.0005 Å
• b: 15.0994 ± 0.0007 Å
• c: 18.1016 ± 0.0009 Å
• α: 108.84 ± 0.003°
• β: 98.138 ± 0.003°
• γ: 109.91 ± 0.003°
• Cell volume: 2568.7 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for all reflections: 0.2626
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0223
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No