Information card for entry 7228966

Structure parameters

• Formula: C30 H22 N3 O7 S3 Tm
• Calculated formula: C30 H22 N3 O7 S3 Tm
• Title of publication: Synthesis, structure, and photoluminescent behaviour of molecular lanthanide–2-thiophenecarboxylate–2,2′:6′,2′′-terpyridine materials
• Authors of publication: Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 8.407 ± 0.0004 Å
• b: 20.3347 ± 0.0009 Å
• c: 17.5788 ± 0.0008 Å
• α: 90°
• β: 98.1531 ± 0.0016°
• γ: 90°
• Cell volume: 2974.8 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No