Information card for entry 7239604

Structure parameters

• Formula: C48 H30 Co2 N4 O9
• Calculated formula: C48 H30 Co2 N4 O9
• Title of publication: Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties
• Authors of publication: Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 3
• Pages of publication: 506 - 514
• a: 7.8353 ± 0.0002 Å
• b: 29.6326 ± 0.0009 Å
• c: 24.7561 ± 0.0009 Å
• α: 90°
• β: 91.232 ± 0.003°
• γ: 90°
• Cell volume: 5746.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No