Information card for entry 7705902

Structure parameters

• Formula: C18 H12 Cu N6
• Calculated formula: C18 H12 Cu N6
• Title of publication: Encapsulated anion-dominated photocatalytic and adsorption performances for organic dye degradation and oxoanion pollutant capture over cationic Cu(i)-organic framework semiconductors.
• Authors of publication: Zhao, Yan; Li, Lei; Ding, Bo; Wang, Xiu-Guang; Liu, Zheng-Yu; Yang, En-Cui; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 197 - 207
• a: 25.6309 ± 0.0019 Å
• b: 3.625 ± 0.0003 Å
• c: 21.0696 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1957.6 ± 0.3 ų
• Cell temperature: 117.4 ± 0.5 K
• Ambient diffraction temperature: 117.4 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No