Information card for entry 4329035

Structure parameters

• Formula: C33 H22 F9 O8 Sm
• Calculated formula: C33 H22 F9 O8 Sm
• SMILES: c1c2CC3=C(c2ccc1)O[Sm]12([OH2])(OC4=C(C(C(F)(F)F)=[O]1)Cc1c4cccc1)(OC(=C1Cc4ccccc4C1=[O]2)C(F)(F)F)([O]=C3C(F)(F)F)[OH2]
• Title of publication: Synthesis, Crystal Structure, and Luminescent Properties of 2-(2,2,2-Trifluoroethyl)-1-indone Lanthanide Complexes
• Authors of publication: Jingya Li; Hongfeng Li; Pengfei Yan; Peng Chen; Guangfeng Hou; Guangming Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5050 - 5057
• a: 23.943 ± 0.005 Å
• b: 15.055 ± 0.003 Å
• c: 18.355 ± 0.004 Å
• α: 90°
• β: 92.98 ± 0.03°
• γ: 90°
• Cell volume: 6607 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No