Information card for entry 4088100

Structure parameters

• Formula: C62 H50 O Sm
• Calculated formula: C62 H50 O Sm
• SMILES: [Sm]12345678([O]9CCCC9)([cH]9[c]1([c]2([c]3([c]49c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[cH]1[c]5([c]6([c]7([c]81c1ccccc1)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: 10.323 ± 0.002 Å
• b: 40.667 ± 0.008 Å
• c: 11.096 ± 0.002 Å
• α: 90°
• β: 105.38 ± 0.03°
• γ: 90°
• Cell volume: 4491.3 ± 1.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No