Information card for entry 1553676

Structure parameters

• Formula: C37 H43 Cu2 I2 N5 O2 S3
• Calculated formula: C37 H43 Cu2 I2 N5 O2 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: 9.102 ± 0.003 Å
• b: 14.511 ± 0.004 Å
• c: 17.16 ± 0.005 Å
• α: 66.114 ± 0.003°
• β: 88.537 ± 0.004°
• γ: 80.515 ± 0.004°
• Cell volume: 2041.9 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No