Information card for entry 7034960

Structure parameters

• Formula: C55 H42 B Cl0 Cu F4 N4 O P2
• Calculated formula: C55 H42 B Cu F4 N4 O P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1ccccc1)[n]1c(n(nc1c1ccccc1)c1ccccc1)c1[n]2cccc1.[B](F)(F)(F)[F-]
• Title of publication: Photo- and electro-luminescence of four cuprous complexes with sterically demanding and hole transmitting diimine ligands.
• Authors of publication: Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 10022 - 10029
• a: 20.846 ± 0.005 Å
• b: 17.594 ± 0.005 Å
• c: 29.817 ± 0.007 Å
• α: 90°
• β: 90.721 ± 0.005°
• γ: 90°
• Cell volume: 10935 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.3033
• Weighted residual factors for all reflections included in the refinement: 0.3088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No