Information card for entry 7214561

Structure parameters

• Formula: C56 H53 B2 Cu2 F8 N4 O P3
• Calculated formula: C56 H53 B2 Cu2 F8 N4 O P3
• SMILES: [Cu]123([P](c4[n]([Cu]1([n]1c([P]2(c2ccccc2)c2ccccc2)c(ccc1)C)[P](c1[n]3cccc1C)(c1ccccc1)c1ccccc1)cccc4C)(c1ccccc1)c1ccccc1)[N]#CC.[B](F)(F)(F)[F-].O.[B](F)(F)(F)[F-]
• Title of publication: Directed formation of tri-connected Cu(i) coordination polymers
• Authors of publication: Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9372
• a: 18.6648 ± 0.0014 Å
• b: 14.4855 ± 0.0013 Å
• c: 20.3605 ± 0.0017 Å
• α: 90°
• β: 91.374 ± 0.007°
• γ: 90°
• Cell volume: 5503.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1583
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No