Information card for entry 4133137

Structure parameters

• Formula: C32 H22 N2 O8 S4 Zn2
• Calculated formula: C32 H22 N2 O8 S4 Zn2
• Title of publication: Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.
• Authors of publication: Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 46
• Pages of publication: 15572 - 15576
• a: 8.7483 ± 0.0007 Å
• b: 16.381 ± 0.0012 Å
• c: 23.7451 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3402.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No