Information card for entry 4112669

Structure parameters

• Formula: C83 H68 Cu3 F6 P7
• Calculated formula: C83 H68 Cu3 F6 P7
• SMILES: [Cu]12345[Cu]678([Cu]1([P](C[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([C]47#CC#C)[C]58#CC#C)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Photophysics, Electrochemistry, Theoretical, and Transient Absorption Studies of Luminescent Copper(I) and Silver(I) Diynyl Complexes. X-ray Crystal Structures of [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCPh)2]PF6 and [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCH)2]PF6
• Authors of publication: Wing-Yin Lo; Chi-Ho Lam; Vivian Wing-Wah Yam; Nianyong Zhu; Kung-Kai Cheung; Sofiane Fathallah; Sabri Messaoudi; Boris Le Guennic; Samia Kahlal; Jean-François Halet
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 7300 - 7310
• a: 14.633 ± 0.002 Å
• b: 27.457 ± 0.004 Å
• c: 19.035 ± 0.003 Å
• α: 90°
• β: 106.8 ± 0.03°
• γ: 90°
• Cell volume: 7321 ± 2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No