Information card for entry 7228203

Structure parameters

• Formula: C113 H106 B Cl2 Cu3 F4 N4 O4 P6
• Calculated formula: C113 H106 B Cl2 Cu3 F4 N4 O4 P6
• 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#Cc1ccc(NC(=O)Nc3ccc(Cl)cc3)cc1)[C]58#Cc1ccc(NC(=O)Nc3ccc(Cl)cc3)cc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].O(CC)CC.O(CC)CC
• Title of publication: Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures
• Authors of publication: Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 2349
• a: 13.946 ± 0.003 Å
• b: 14.296 ± 0.003 Å
• c: 26.749 ± 0.005 Å
• α: 81.29 ± 0.03°
• β: 77.99 ± 0.03°
• γ: 81.78 ± 0.03°
• Cell volume: 5121.7 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No