Information card for entry 7034961

Structure parameters

• Formula: C68 H52 B Cu F4 N5 O1.5 P2
• Calculated formula: C68 H52 B Cu F4 N5 O1.5 P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)[n]1c(n(nc1c1ccccc1)c1ccc(n3c4c(c5c3cccc5)cccc4)cc1)c1[n]2cccc1.[B](F)(F)(F)[F-].OCC
• 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: 22.9549 ± 0.001 Å
• b: 21.372 ± 0.0015 Å
• c: 24.8432 ± 0.0009 Å
• α: 90°
• β: 111.602 ± 0.004°
• γ: 90°
• Cell volume: 11331.8 ± 1.1 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• 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: 0.1108
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No