Information card for entry 7041859

Structure parameters

• Formula: C43 H34 N3 O2 S6 Yb
• Calculated formula: C43 H34 N3 O2 S6 Yb
• Title of publication: LMCT facilitated room temperature phosphorescence and energy transfer in substituted thiophenolates of Gd and Yb.
• Authors of publication: Ilichev, Vasily A.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Grishin, Ivan D.; Dmitriev, Artem V.; Lypenko, Dmitry A.; Maltsev, Eugeny I.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 3041 - 3050
• a: 17.7938 ± 0.0014 Å
• b: 10.9568 ± 0.0009 Å
• c: 20.0462 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3908.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No