Information card for entry 7046382

Structure parameters

• Formula: C46 H35 Br Cu F6 N2 O P3
• Calculated formula: C46 H35 Br 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: 14.622 ± 0.006 Å
• b: 12.686 ± 0.0008 Å
• c: 18.613 ± 0.006 Å
• α: 90°
• β: 92.1 ± 0.04°
• γ: 90°
• Cell volume: 3450.3 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 4500000 kPa
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.4859 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No