Information card for entry 7228969

Structure parameters

• Formula: C60 H45.28 N6 O14.64 Pr2 S6
• Calculated formula: C60 H45.284 N6 O14.642 Pr2 S6
• 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: 12.025 ± 0.0006 Å
• b: 25.737 ± 0.0011 Å
• c: 9.6972 ± 0.0004 Å
• α: 90°
• β: 98.165 ± 0.002°
• γ: 90°
• Cell volume: 2970.7 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No