Information card for entry 7121090

Structure parameters

• Chemical name: CB6_B12H12
• Formula: C121 H207 B24 N77 O57
• Calculated formula: C121 H162 B24 N77 O57
• Title of publication: The chaotropic effect as an orthogonal assembly motif for multi-responsive dodecaborate-cucurbituril supramolecular networks.
• Authors of publication: Wang, Wenjing; Wang, Xiaoqiang; Cao, Jin; Liu, Jun; Qi, Bin; Zhou, Xiaohai; Zhang, Shuai; Gabel, Detlef; Nau, Werner M.; Assaf, Khaleel I.; Zhang, Haibo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 2098 - 2101
• a: 12.604 ± 0.0006 Å
• b: 14.9311 ± 0.0006 Å
• c: 26.8894 ± 0.0014 Å
• α: 86.075 ± 0.004°
• β: 79.443 ± 0.004°
• γ: 87.306 ± 0.003°
• Cell volume: 4960 ± 0.4 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: 0.2079
• Residual factor for significantly intense reflections: 0.1593
• Weighted residual factors for significantly intense reflections: 0.3507
• Weighted residual factors for all reflections included in the refinement: 0.3731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No