Information card for entry 7205358

Structure parameters

• Formula: C24 H20 N4 O6 S Zn
• Calculated formula: C24 H20 N4 O6 S Zn
• 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: 10.1389 ± 0.0007 Å
• b: 22.0518 ± 0.0012 Å
• c: 14.1837 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3171.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No