Information card for entry 7105313

Structure parameters

• Formula: Ce H62 Na8 O67 W10
• Calculated formula: Ce Na8 O67 W10
• SMILES: [O]1=[W]234(O[W]567(=[O][Ce]89%10%111([O]=[W]1%12(O2)(O[W]2(=[O]8)(O5)([O]361[W](O4)(O%12)(O2)(O7)=O)=O)=O)[O]=[W]123(O[W]45(=[O]%11)(O[W]67(=[O]%10)(O[W]8(=[O]9)(O1)([O]246[W](O3)(O8)(O7)(O5)=O)=O)=O)=O)=O)=O)=O.[Na+].[Na+].O.O.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Luminescence in Ce(IV) polyoxometalate [Ce(W5O18)2]8-: a combined experimental and theoretical study.
• Authors of publication: Roy, Lindsay E; Ortiz-Acosta, Denisse; Batista, Enrique R; Scott, Brian L; Blair, Michael W; May, Iain; Del Sesto, Rico E; Martin, Richard L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 1848 - 1850
• a: 18.041 ± 0.005 Å
• b: 18.497 ± 0.005 Å
• c: 18.324 ± 0.005 Å
• α: 90°
• β: 95.941 ± 0.003°
• γ: 90°
• Cell volume: 6082 ± 3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0574
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No