Information card for entry 1513089

Structure parameters

• Formula: C17 H33 Er O10
• Calculated formula: C17 H33 Er O10
• SMILES: C1(C)=CC(C)=[O][Er]23(O1)(OC(=CC(=[O]2)C)C)([O]=C(C)C=C(C)O3)([OH2])[OH2].C(C)O.O
• Title of publication: Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study
• Authors of publication: Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 45
• Pages of publication: 23970
• a: 10.4187 ± 0.0006 Å
• b: 19.6076 ± 0.0012 Å
• c: 10.9402 ± 0.0006 Å
• α: 90°
• β: 91.235 ± 0.001°
• γ: 90°
• Cell volume: 2234.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0183
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections included in the refinement: 0.0326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No