Information card for entry 7047396

Structure parameters

• Formula: C28 H19 Bi N2 O12.36 S3
• Calculated formula: C28 H19 Bi N2 O12.356 S3
• Title of publication: Bismuth(iii)-thiophenedicarboxylates as host frameworks for lanthanide ions: synthesis, structural characterization, and photoluminescent behavior.
• Authors of publication: Adcock, Alyssa K.; Gibbons, Bradley; Einkauf, Jeffrey D.; Bertke, Jeffery A.; Rubinson, J. Faye; de Lill, Daniel T.; Knope, Karah E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13419 - 13433
• a: 8.913 ± 0.003 Å
• b: 35.065 ± 0.013 Å
• c: 9.735 ± 0.003 Å
• α: 90°
• β: 110.591 ± 0.013°
• γ: 90°
• Cell volume: 2848.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No