Information card for entry 4088098

Structure parameters

• Formula: C74 H42 O8 Yb
• Calculated formula: C74 H42 O8 Yb
• SMILES: [Yb]1234([O](C)CC[O]1C)([O](C)CC[O]2C)([O](CC[O]3C)C)[O](C)CC[O]4C.[cH-]1c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[cH-]1c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Divalent Tetra- and Penta-phenylcyclopentadienyl Europium and Samarium Sandwich and Half-Sandwich Complexes: Synthesis, Characterization, and Remarkable Luminescence Properties
• Authors of publication: Kelly, Rory P.; Bell, Toby D. M.; Cox, Rosalind P.; Daniels, Daisy P.; Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Le Goff, Xavier F.; Lemercier, Gilles; Martinez, Agathe; Wang, Jun; Werner, Daniel
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 5624
• a: 13.268 ± 0.003 Å
• b: 23.619 ± 0.005 Å
• c: 68.846 ± 0.014 Å
• α: 90°
• β: 93.7 ± 0.03°
• γ: 90°
• Cell volume: 21530 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.1225
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2627
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No