Information card for entry 7034962

Structure parameters

• Formula: C57 H46 B Cl2 Cu F4 N4 O P2
• Calculated formula: C57 H46 B Cl2 Cu F4 N4 O P2
• SMILES: [Cu]12([P](c3ccccc3)(c3c(Oc4c([P]1(c1ccccc1)c1ccccc1)cccc4)cccc3)c1ccccc1)[n]1c(n(nc1c1ccccc1)c1ccccc1)c1[n]2c(ccc1)C.[B](F)(F)(F)[F-].C(Cl)Cl
• 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: 11.2117 ± 0.0006 Å
• b: 11.6277 ± 0.0008 Å
• c: 20.2682 ± 0.0012 Å
• α: 92.924 ± 0.005°
• β: 90.208 ± 0.005°
• γ: 102.716 ± 0.005°
• Cell volume: 2573.8 ± 0.3 ų
• Cell temperature: 155.46 ± 0.1 K
• Ambient diffraction temperature: 155.46 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No