Information card for entry 7216812

Structure parameters

• Formula: C32 H34 Cu2 N10 O13
• Calculated formula: C32 H30 Cu2 N10 O13
• Title of publication: A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands
• Authors of publication: Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 6380
• a: 11.5342 ± 0.0008 Å
• b: 20.5261 ± 0.0012 Å
• c: 19.3153 ± 0.0013 Å
• α: 90°
• β: 126.053 ± 0.005°
• γ: 90°
• Cell volume: 3697.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1123
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No