Information card for entry 4088101

Structure parameters

• Formula: C68 H67 Eu O5
• Calculated formula: C68 H67 Eu O5
• SMILES: [Eu]123456789([O](C)CC[O]1C)([cH]1[c]3([c]4([c]5([c]21c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[cH]1[c]6([c]7([c]8([c]19c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O(C)CCOC.O(C)CCOC
• 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: 12.209 ± 0.0006 Å
• b: 20.0023 ± 0.0011 Å
• c: 44.869 ± 0.003 Å
• α: 90°
• β: 97.081 ± 0.002°
• γ: 90°
• Cell volume: 10873.8 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0998
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.712 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No