Information card for entry 7047392

Structure parameters

• Formula: C17 H15 Bi N O10.5 S2
• Calculated formula: C17 H14.992 Bi N O10.496 S2
• 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: 8.578 ± 0.0006 Å
• b: 25.4265 ± 0.0016 Å
• c: 10.0899 ± 0.0006 Å
• α: 90°
• β: 111.421 ± 0.002°
• γ: 90°
• Cell volume: 2048.7 ± 0.2 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: 0.0302
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No