Information card for entry 7110126

Structure parameters

• Formula: C16 H16 Cu2 N4 O2
• Calculated formula: C16 H16 Cu2 N4 O2
• Title of publication: A flexible porous Cu(II) bis-imidazolate framework with ultrahigh concentration of active sites for efficient and recyclable CO2 capture
• Authors of publication: Dong-Dong Zhou; Chun-Ting He; Pei-Qin Liao; Wei Xue; Wei-Xiong Zhang; Hao-Long Zhou; Jie-Peng Zhang; Xiao-Ming Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11728
• a: 16.377 ± 0.003 Å
• b: 12.209 ± 0.002 Å
• c: 10.2681 ± 0.0018 Å
• α: 90°
• β: 127.226 ± 0.002°
• γ: 90°
• Cell volume: 1634.8 ± 0.5 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No