Information card for entry 7228209

Structure parameters

• Formula: C113 H104 B Cu3 F4 N4 O2 P6
• Calculated formula: C113 H104 B Cu3 F4 N4 O2 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(cc3)C(C)(C)C)cc1)[C]58#Cc1ccc(NC(=O)Nc3ccc(cc3)C(C)(C)C)cc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• 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: 13.861 ± 0.003 Å
• b: 33.095 ± 0.007 Å
• c: 22.888 ± 0.005 Å
• α: 90°
• β: 107.6 ± 0.03°
• γ: 90°
• Cell volume: 10008 ± 4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No