Information card for entry 7118793

Structure parameters

• Formula: C33 H26.5 Cu4 I4 N9 O3
• Calculated formula: C33 H26.5 Cu4 I4 N9 O3
• Title of publication: An in situ self-assembled Cu4I4-MOF-based mixed matrix membrane: a highly sensitive and selective naked-eye sensor for gaseous HCl.
• Authors of publication: Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Wang, Xue-Ru; Liu, Yi; Yang, Jing; Yang, Jia-Shi; Dong, Yu-Bin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 30
• Pages of publication: 5238 - 5241
• a: 19.4538 ± 0.0005 Å
• b: 32.5779 ± 0.0007 Å
• c: 22.6155 ± 0.0006 Å
• α: 90°
• β: 103.876 ± 0.002°
• γ: 90°
• Cell volume: 13914.6 ± 0.6 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1099
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2549
• Weighted residual factors for all reflections included in the refinement: 0.2755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No