Information card for entry 7210079

Structure parameters

• Formula: C102 H174 N14 O16 S2
• Calculated formula: C102 H174 N14 O16 S2
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O=N(=O)c1ccc(cc1)NC(=O)Nc1ccccc1NC(=O)Nc1cccc2c(NC(=O)Nc3c(cccc3)NC(=O)Nc3ccc(cc3)N(=O)=O)cccc12.[O-]S(=O)(=O)[O-].[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O=S(=O)([O-])[O-]
• Title of publication: From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand
• Authors of publication: Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 4540
• a: 27.889 ± 0.004 Å
• b: 16.427 ± 0.002 Å
• c: 24.753 ± 0.003 Å
• α: 90°
• β: 98.54 ± 0.002°
• γ: 90°
• Cell volume: 11214 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1931
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No