Information card for entry 7221984

Structure parameters

• Formula: C57 H54 N6 O51.2 S3 Zn9
• Calculated formula: C57 H54 N6 O52.21 S3 Zn9
• Title of publication: In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands
• Authors of publication: Tahier, Tayyibah; Oliver, Clive L.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 46
• Pages of publication: 8946
• a: 18.798 ± 0.019 Å
• b: 18.798 Å
• c: 21.57 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6601 ± 9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No