Information card for entry 7021629

Structure parameters

• Formula: C26 H38 Ce2 F18 N2 O18 S4
• Calculated formula: C26 H38 Ce2 F18 N2 O18 S4
• SMILES: CS(C)=[O][Ce]1234([O]=S(C)C)([O]=C(C(F)(F)F)O1)([O]=CN(C)C)OC(=[O][Ce]1(OC(=[O]2)C(F)(F)F)([O]=S(C)C)([O]=S(C)C)(OC(=[O]1)C(F)(F)F)([O]=CN(C)C)(OC(=[O]3)C(F)(F)F)[O]=C(O4)C(F)(F)F)C(F)(F)F
• Title of publication: A molecular precursor approach to monodisperse scintillating CeF3 nanocrystals.
• Authors of publication: Mishra, Shashank; Jeanneau, Erwann; Bulin, Anne-Laure; Ledoux, Gilles; Jouguet, Bernadette; Amans, David; Belsky, Andrei; Daniele, Stéphane; Dujardin, Christophe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 35
• Pages of publication: 12633 - 12643
• a: 21.433 ± 0.002 Å
• b: 12.1357 ± 0.0008 Å
• c: 19.228 ± 0.001 Å
• α: 90°
• β: 105.845 ± 0.008°
• γ: 90°
• Cell volume: 4811.3 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.1699
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No