Information card for entry 4347658

Structure parameters

• Formula: C78 H78 Cu2 N30 O22
• Calculated formula: C78 H66 Cu2 N30 O22
• Title of publication: Solvent-Induced Single Crystal-Single Crystal Transformation of an Interpenetrated Three-Dimensional Copper Triazole Catalytic Framework.
• Authors of publication: Wang, Ying; Meng, Shan-Shan; Lin, Peng-Xiang; Xiao, Yi-Wei; Ma, Qing-Qing; Xie, Qiong; Chen, Yuan-Yuan; Zhao, Xiao-Jun; Chen, Jun
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4069 - 4071
• a: 12.5757 ± 0.0009 Å
• b: 13.4705 ± 0.001 Å
• c: 14.2408 ± 0.0011 Å
• α: 99.641 ± 0.001°
• β: 95.823 ± 0.002°
• γ: 117.245 ± 0.001°
• Cell volume: 2070.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No