Information card for entry 4123551

Structure parameters

• Formula: C18 H48 N18 O18 S6
• Calculated formula: C18 H48 N18 O18 S6
• Title of publication: Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.
• Authors of publication: Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 9
• Pages of publication: 3386 - 3392
• a: 10.013 ± 0.002 Å
• b: 21.303 ± 0.004 Å
• c: 10.071 ± 0.002 Å
• α: 90°
• β: 103.21 ± 0.03°
• γ: 90°
• Cell volume: 2091.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No