Information card for entry 7245962

Structure parameters

• Formula: C20 H17 Cu2 N6.5 O6.5
• Calculated formula: C20 H17 Cu2 N6.5 O6.5
• Title of publication: Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property
• Authors of publication: Chen, Di-Ming; Zhang, Xue-Jing
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 467 - 472
• a: 13.7089 ± 0.0004 Å
• b: 26.6171 ± 0.0006 Å
• c: 15.8127 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5769.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No