Information card for entry 7205357

Structure parameters

• Formula: C38 H20 N2 O12 S2 Zn2
• Calculated formula: C38 H20 N2 O12 S2 Zn2
• Title of publication: Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence
• Authors of publication: Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1646
• a: 13.961 ± 0.0007 Å
• b: 22.649 ± 0.002 Å
• c: 19.601 ± 0.003 Å
• α: 90°
• β: 101.374 ± 0.009°
• γ: 90°
• Cell volume: 6076.2 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.1325
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No