Information card for entry 7229425

Structure parameters

• Formula: C66 H46 N6 O21 Zn4
• Calculated formula: C66 H46 N6 O21 Zn4
• Title of publication: Pre-design and synthesis of a five-fold interpenetrated pcu-type porous coordination polymer and its CO2/CO separation
• Authors of publication: Duan, Jingui; Cao, Haifei; Wang, Suna; Wang, Yang; Lyu, Hongliang; Krishna, Rajamani; Lu, Zhiyong; Jin, Wanqin
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 11.2432 ± 0.0015 Å
• b: 21.829 ± 0.003 Å
• c: 25.837 ± 0.004 Å
• α: 98.929 ± 0.002°
• β: 92.438 ± 0.002°
• γ: 94.814 ± 0.002°
• Cell volume: 6232.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1468
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2171
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No