Information card for entry 1563576

Structure parameters

• Formula: C88 H110 Cu2 N12 Na O51 S4
• Calculated formula: C88 H60 Cu2 N12 Na O51 S4
• Title of publication: Guests inducing p-sulfonatocalix[4]arenes into nanocapsule and layer structure
• Authors of publication: Zheng, Guoli; Fan, Weiqiang; Song, Shuyan; Guo, Huadong; Zhang, HongJie
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 6
• Pages of publication: 1457 - 1463
• a: 14.2392 ± 0.0012 Å
• b: 14.2756 ± 0.0012 Å
• c: 27.679 ± 0.002 Å
• α: 93.383 ± 0.001°
• β: 91.68 ± 0.001°
• γ: 112.29 ± 0.001°
• Cell volume: 5188.8 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0959
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No