Information card for entry 7111965

Structure parameters

• Formula: C20 H15 N3 O7.5 Zn1.5
• Calculated formula: C20 H15 N3 O7.5 Zn1.5
• Title of publication: Crystallographic determination of solid-state structural transformations in a dynamic metal‒organic framework
• Authors of publication: Li, Gui-Lian; Liu, Guang-Zhen; Ma, Lu-Fang; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya
• Journal of publication: Chemical Communications
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 2615 - 2617
• a: 15.307 ± 0.003 Å
• b: 25.365 ± 0.004 Å
• c: 13.442 ± 0.002 Å
• α: 90°
• β: 124.029 ± 0.002°
• γ: 90°
• Cell volume: 4325.3 ± 1.3 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: 0.0342
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No