Information card for entry 7230304

Structure parameters

• Formula: C28 H34 Cu3 N6 O10
• Calculated formula: C24 H22 Cu3 N4 O10
• Title of publication: A water stable microporous metal‒organic framework based on rod SBUs: synthesis, structure and adsorption properties
• Authors of publication: Yuan, Jiaqi; Mu, Li; Li, Jiantang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 2169
• a: 15.225 ± 0.003 Å
• b: 19.518 ± 0.004 Å
• c: 10.927 ± 0.002 Å
• α: 90°
• β: 93.42 ± 0.03°
• γ: 90°
• Cell volume: 3241.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0217
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No