Information card for entry 1558962

Structure parameters

• Chemical name: NJU-Bai61p
• Formula: C5 H4 Cu2 I2 N2 O2
• Calculated formula: C5 H4 Cu2 I2 N2 O2
• Title of publication: Formation of a Mixed-Valence Cu(I)/Cu(II) Metal-Organic Framework with the Full Light Spectrum and High Selectivity of CO2 Photoreduction into CH4
• Authors of publication: Gao, Yajun; Bai, Junfeng; Zhang, Lei; Gu, Yuming; Zhang, Wen-Wei; Pan, Yi; Fang, Wei-hai; Ma, Jing; Lan, Ya-Qian
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 13.4414 ± 0.0012 Å
• b: 10.3399 ± 0.0009 Å
• c: 15.1736 ± 0.0014 Å
• α: 90°
• β: 106.964 ± 0.001°
• γ: 90°
• Cell volume: 2017.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No