Information card for entry 7231730

Structure parameters

• Formula: C24 H26 Ca O12 S2
• Calculated formula: C24 H26 Ca O12 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: 5.6916 ± 0.001 Å
• b: 11.2202 ± 0.0013 Å
• c: 12.0632 ± 0.0014 Å
• α: 106.848 ± 0.01°
• β: 99.54 ± 0.012°
• γ: 94.197 ± 0.012°
• Cell volume: 721.08 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0895
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No