Information card for entry 4123552

Structure parameters

• Formula: C14 H34 N12 O12 S4
• Calculated formula: C14 H34 N12 O12 S4
• SMILES: c1c(CS(=O)(=O)[O-])c(CS(=O)(=O)[O-])cc(c1CS(=O)(=O)[O-])CS(=O)(=O)[O-].C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N
• 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: 7.4352 ± 0.0002 Å
• b: 9.87 ± 0.0003 Å
• c: 10.2119 ± 0.0003 Å
• α: 74.408 ± 0.001°
• β: 82.628 ± 0.001°
• γ: 87.02 ± 0.001°
• Cell volume: 715.74 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No