Information card for entry 7231732

Structure parameters

• Formula: C26 H26 Ba2 O11 S2
• Calculated formula: C26 H26 Ba2 O11 S2
• Title of publication: Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol
• Authors of publication: Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 46
• Pages of publication: 7513
• a: 20.2502 ± 0.0009 Å
• b: 5.6487 ± 0.0002 Å
• c: 26.7408 ± 0.0011 Å
• α: 90°
• β: 111.037 ± 0.005°
• γ: 90°
• Cell volume: 2854.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No