Information card for entry 1550342

Structure parameters

• Common name: Timi-Cu
• Formula: C15.5 H17 Cu N3.5 O5.75
• Calculated formula: C15.5 H16.5 Cu N3.5 O5.75
• Title of publication: Framework disorder and its effect on selective hysteretic sorption of a T-shaped azole-based metal‒organic framework
• Authors of publication: Wang, Sujuan; Wei, Zhang-Wen; Zhang, Jianyong; Jiang, Long; Liu, Dingxin; Jiang, Ji-Jun; Si, Rui; Su, Cheng-Yong
• Journal of publication: IUCrJ
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 1
• a: 10.8431 ± 0.0006 Å
• b: 11.8835 ± 0.0006 Å
• c: 14.4823 ± 0.0009 Å
• α: 90°
• β: 109.361 ± 0.007°
• γ: 90°
• Cell volume: 1760.57 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2296
• Weighted residual factors for all reflections included in the refinement: 0.2447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No