Information card for entry 7213555

Structure parameters

• Formula: C96 H284 Cd2 Cl14 Eu4 N66 O132
• Calculated formula: C96 H96 Cd2 Cl14 Eu4 N66 O62
• SMILES: C12N3C4C5N1CN1C(N6C7C1N1CN5C5N4CN4C(=O)N8CN9C(=O)N%10CN%11C%12N%13CN%14C(N%15C%16C%14N%14C(N%16CN%16C(=O)N%17CN%18C(=O)N(C6)C6C%18N(C(=O)N6CN7C1=[O][Eu]1([O]=5)(ON(=O)=[O]1)([OH2])([OH2])([OH2])([OH2])[OH2])CN1C%17C%16N(C1=O)C%15)=[O][Eu]1([O]=C5N(C%14)C%13C%11N5CN5C%10C9N(C5=O)CN5C8C4N(C3)C5=O)(ON(=O)=[O]1)([OH2])([OH2])([OH2])([OH2])[OH2])=[O][Eu]([O]=%12)([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])=[O][Eu]([O]=2)([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=C1N2C3C4N1CN1C(=O)N5C6C1N1CN4C(=O)N3CN3C(=O)N4CN7C(=O)N8CN9C(=O)N%10CN%11C(=O)N%12C%13C%11N(C(=O)N%13CN%11C(=O)N%13CN%14C(=O)N(C5)C5C%14N(C(=O)N5CN6C1=O)CN1C%13C%11N(C1=O)C%12)CN1C%10C9N(C1=O)CN1C8C7N(C1=O)CN1C4C3N(C2)C1=O.[Cd](Cl)(Cl)([Cl-])[Cl-].[Cl-].[Cl-].[Cl-].[Cd](Cl)(Cl)([Cl-])[Cl-].[Cl-].[Cl-].[Cl-]
• Title of publication: [CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides
• Authors of publication: Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 144
• a: 17.0389 ± 0.0017 Å
• b: 17.9558 ± 0.0017 Å
• c: 18.3397 ± 0.0019 Å
• α: 84.823 ± 0.004°
• β: 65.727 ± 0.004°
• γ: 71.616 ± 0.004°
• Cell volume: 4848.9 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.3205
• Weighted residual factors for all reflections included in the refinement: 0.3432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No