Information card for entry 7208202

Structure parameters

• Formula: C34 H44 Ba O25 S2
• Calculated formula: C34 H44 Ba O25 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: 7.879 ± 0.014 Å
• b: 13.43 ± 0.02 Å
• c: 20.78 ± 0.04 Å
• α: 75.33 ± 0.03°
• β: 83.25 ± 0.02°
• γ: 87.71 ± 0.03°
• Cell volume: 2112 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No