Information card for entry 7233406

Structure parameters

• Formula: C30 H26 Cu N4 O7
• Calculated formula: C30 H26 Cu N4 O7
• Title of publication: Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites
• Authors of publication: Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 36
• Pages of publication: 5382
• a: 10.0881 ± 0.0002 Å
• b: 10.2574 ± 0.0002 Å
• c: 14.2782 ± 0.0003 Å
• α: 76.988 ± 0.002°
• β: 72.988 ± 0.002°
• γ: 82.528 ± 0.002°
• Cell volume: 1373.28 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No