Information card for entry 7123899

Structure parameters

• Formula: C14 H14 O16 S2 Zn
• Calculated formula: C14 H10 O14 S2 Zn
• Title of publication: Humidity-triggered single-crystal-to-single-crystal structural transformations in a Zn(II) coordination polymer displaying unusual activation energy change in proton conductivity
• Authors of publication: Hong, Chang Seop; Song, Jeong Hwa; Kim, Dae Won; Kang, Dong Won; Lee, Woo Ram
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 29.1076 ± 0.001 Å
• b: 5.2452 ± 0.0002 Å
• c: 20.7121 ± 0.0008 Å
• α: 90°
• β: 133.431 ± 0.004°
• γ: 90°
• Cell volume: 2296.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No