Information card for entry 7210084

Structure parameters

• Formula: C70 H102 Br2 N12 O8
• Calculated formula: C70 H102 Br2 N12 O8
• SMILES: c1(N(=O)=O)ccc(cc1)NC(=O)Nc1ccccc1NC(=O)Nc1cccc2c(NC(=O)Nc3c(cccc3)NC(=O)Nc3ccc(cc3)N(=O)=O)cccc12.[Br-].C(C[N+](CCCC)(CCCC)CCCC)CC.[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC
• 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: 8.9484 ± 0.0019 Å
• b: 9.473 ± 0.002 Å
• c: 21.594 ± 0.005 Å
• α: 83.826 ± 0.003°
• β: 84.847 ± 0.002°
• γ: 80.815 ± 0.003°
• Cell volume: 1791.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No