Information card for entry 7041858

Structure parameters

• Formula: C86 H68 N6 O10 S6 Yb2
• Calculated formula: C86 H68 N6 O10 S6 Yb2
• 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: 16.6185 ± 0.0012 Å
• b: 20.4855 ± 0.0014 Å
• c: 24.5176 ± 0.0017 Å
• α: 90°
• β: 101.251 ± 0.002°
• γ: 90°
• Cell volume: 8186.3 ± 1 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: 0.0624
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No