Information card for entry 7220139

Structure parameters

• Formula: C38 H26 Cl6 Cu3 N10
• Calculated formula: C38 H26 Cl6 Cu3 N10
• SMILES: [Cu]([n]1cc[n]2c(c1)c1cc(cc3[n]1[Cu]2([n]1c3cncc1)(Cl)Cl)c1ccccc1)([n]1cc[n]2c(c1)c1cc(cc3[n]1[Cu]2([n]1c3cncc1)(Cl)Cl)c1ccccc1)(Cl)Cl
• Title of publication: Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies
• Authors of publication: Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.0764 ± 0.0004 Å
• b: 10.3447 ± 0.0005 Å
• c: 12.0794 ± 0.0006 Å
• α: 69.08 ± 0.003°
• β: 86.145 ± 0.003°
• γ: 88.856 ± 0.003°
• Cell volume: 940.54 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No