Information card for entry 7036340

Structure parameters

• Formula: C52 H42 B Cu F4 N2 P2
• Calculated formula: C52 H42 B Cu F4 N2 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2c2ccc(c[n]12)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Luminescent mononuclear mixed ligand complexes of copper(i) with 5-phenyl-2,2'-bipyridine and triphenylphosphine.
• Authors of publication: Safin, Damir A.; Mitoraj, Mariusz P.; Robeyns, Koen; Filinchuk, Yaroslav; Vande Velde, Christophe M. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16824 - 16832
• a: 10.5921 ± 0.0004 Å
• b: 13.9695 ± 0.0006 Å
• c: 15.0293 ± 0.0005 Å
• α: 90°
• β: 94.299 ± 0.003°
• γ: 90°
• Cell volume: 2217.57 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No