Information card for entry 7014659

Structure parameters

• Formula: C54 H46 B Cl4 Cu F4 N3 P2
• Calculated formula: C54 H44 B Cl4 Cu F4 N3 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)n2c3ccccc3nc2c2[n]1c1c(cc2)cccc1.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Neutral copper(I) phosphorescent complexes from their ionic counterparts with 2-(2'-quinolyl)benzimidazole and phosphine mixed ligands.
• Authors of publication: Min, Junhui; Zhang, Qisheng; Sun, Wei; Cheng, Yanxiang; Wang, Lixiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 686 - 693
• a: 10.753 ± 0.0009 Å
• b: 14.0616 ± 0.0011 Å
• c: 17.4536 ± 0.0014 Å
• α: 103.148 ± 0.001°
• β: 97.912 ± 0.001°
• γ: 90.404 ± 0.001°
• Cell volume: 2543.4 ± 0.4 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No