Information card for entry 1553679

Structure parameters

• Formula: C31 H33 Cu2 I2 N5 S3
• Calculated formula: C31 H33 Cu2 I2 N5 S3
• Title of publication: A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules
• Authors of publication: Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 1764
• a: 8.962 ± 0.003 Å
• b: 14.515 ± 0.004 Å
• c: 16.577 ± 0.005 Å
• α: 112.653 ± 0.003°
• β: 91.205 ± 0.004°
• γ: 98.338 ± 0.003°
• Cell volume: 1962 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No