Information card for entry 7117522

Structure parameters

• Chemical name: C6BPC-CB6
• Formula: C54 H56 N26 O16
• Calculated formula: C54 H56 N26 O16
• SMILES: C1(=O)N2CN3C(=O)N4C5N6C(=O)N(C35)CN3C(=O)N5C(N1CN1C(=O)N7C8C1N(C(=O)N8CN1C(=O)N8C9C1N(C(=O)N9CN1C(=O)N9C%10N(C(=O)N(C1%10)C8)CN1C(=O)N(C8C1N(C(=O)N8C4)C9)C6)C7)C5)C23.c1(C(=O)[O-])cc[n+](cc1)CCCCCC[n+]1ccc(C(=O)[O-])cc1
• Title of publication: Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks
• Authors of publication: Lei Mei; Lin Wang; Li-yong Yuan; Shu-wen An; Yu-liang Zhao; Zhi-fang Chai; Peter C. Burns; Wei-qun Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11990
• a: 12.0755 ± 0.0007 Å
• b: 12.3189 ± 0.0006 Å
• c: 12.3197 ± 0.0006 Å
• α: 106.538 ± 0.004°
• β: 97.085 ± 0.005°
• γ: 107.693 ± 0.005°
• Cell volume: 1628.94 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No