Information card for entry 7205356

Structure parameters

• Formula: C24 H16 Cd N2 O6 S
• Calculated formula: C24 H16 Cd N2 O6 S
• 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: 18.5317 ± 0.0008 Å
• b: 16.6605 ± 0.0006 Å
• c: 22.9353 ± 0.0007 Å
• α: 90°
• β: 94.289 ± 0.003°
• γ: 90°
• Cell volume: 7061.4 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No