Information card for entry 7002721

Structure parameters

• Formula: C59 H50 B Cu F4 N O2 P3
• Calculated formula: C59 H50 B Cu F4 N O2 P3
• SMILES: [Cu]12([P](c3cccc4ccc[n]1c34)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P]2(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].OCC
• Title of publication: Novel luminescent iminephosphine complex of copper(i) with high photochemical and electrochemical stability
• Authors of publication: Qin, Li; Zhang, Qisheng; Sun, Wei; Wang, Jingyun; Lu, Canzhong; Cheng, Yanxiang; Wang, Lixiang
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9388 - 9391
• a: 11.023 ± 0.003 Å
• b: 14.753 ± 0.004 Å
• c: 16.362 ± 0.004 Å
• α: 92.285 ± 0.004°
• β: 91.635 ± 0.005°
• γ: 96.309 ± 0.003°
• Cell volume: 2641.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No