Information card for entry 1553677

Structure parameters

• Formula: C34 H27 Cu2 I2 N3 O S3
• Calculated formula: C34 H27 Cu2 I2 N3 O1.01 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: 9.4203 ± 0.0006 Å
• b: 14.3226 ± 0.0009 Å
• c: 17.3309 ± 0.0012 Å
• α: 65.977 ± 0.003°
• β: 77.856 ± 0.003°
• γ: 79.467 ± 0.003°
• Cell volume: 2075.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0892
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No