Information card for entry 7210865

Structure parameters

• Formula: C144 H436 Cl4 N96 O194 Rb4
• Calculated formula: C144 H144 Cl4 N96 O50 Rb4
• SMILES: C1(=O)N2CN3C(=O)N4C5C3N3CN6C2C2N1CN1C7C8N(CN9C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14C%15C%13N(C(=O)N%15CN%13C(=O)N%15CN%16C(N(C4)C4C%16N(C(=O)N4CN5C3=O)CN3C%15C%13N(C3=O)C%14)=O)CN3C%12C%11N(C3=O)CN3C%10C9N(C3=O)CN8C1=O)C(=O)N7CN2C6=O.C1(=O)N2CN3C(=O)N4C5C3N3CN6C2C2N1CN1C7C8N(CN9C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14C%15C%13N(C(=O)N%15CN%13C(=O)N%15CN%16C(N(C4)C4C%16N(C(=O)N4CN5C3=O)CN3C%15C%13N(C3=O)C%14)=O)CN3C%12C%11N(C3=O)CN3C%10C9N(C3=O)CN8C1=O)C(=O)N7CN2C6=O.C1(=O)N2CN3C(=O)N4C5C3N3CN6C2C2N1CN1C7C8N(CN9C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14C%15C%13N(C(=O)N%15CN%13C(=O)N%15CN%16C(N(C4)C4C%16N(C(=O)N4CN5C3=O)CN3C%15C%13N(C3=O)C%14)=O)CN3C%12C%11N(C3=O)CN3C%10C9N(C3=O)CN8C1=O)C(=O)N7CN2C6=O.[Cl-].[Cl-].O.[Rb+].[Rb+].[Rb+].[Cl-].[Cl-].O.[Rb+]
• Title of publication: The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions
• Authors of publication: Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 38
• Pages of publication: 7709
• a: 21.879 ± 0.008 Å
• b: 21.879 ± 0.008 Å
• c: 52.67 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21835 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1532
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.244
• Weighted residual factors for all reflections included in the refinement: 0.264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No