Information card for entry 7208203

Structure parameters

• Formula: C30 H34 Ba O22 S2
• Calculated formula: C30 H34 Ba O22 S2
• Title of publication: Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands
• Authors of publication: Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 5042
• a: 6.9077 ± 0.0019 Å
• b: 39.21 ± 0.011 Å
• c: 13.137 ± 0.004 Å
• α: 90°
• β: 95.785 ± 0.004°
• γ: 90°
• Cell volume: 3540 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No