Information card for entry 7235658

Structure parameters

• Formula: C4 Er2 K8 Na4 O110 Si2 W22
• Calculated formula: C4 Er2 K8 Na4 O110 Si2 W22
• SMILES: CC1=[O][Er]2345([O]=[W]678(O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)O[W]9(O7)(=O)(O[W]7%17(O%15)(=O)O[W]%15%18(O%13)(=O)O[W]%13%19(O%12)(=O)O[W]%12(O%10)(=O)(O6)[O]6%13[Si]([O]%11%14%16)([O]7%15[W](O%17)(O%18)(=[O]4)(O[W]6(O%19)(O%12)(=[O]3)=O)=O)[O]89)=[O]2)=O)([O]2C(=[O][Er]3462([O]=[W]278(O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)O[W]9(O7)(=O)(O[W]7%17(O%15)(=O)O[W]%15%18(O%13)(=O)O[W]%13%19(O%12)(=O)O[W]%12(O%10)(=O)(O2)[O]2%13[Si]([O]%11%14%16)([O]7%15[W](O%17)(O%18)(=[O]6)(O[W]2(O%19)(O%12)(=[O]4)=O)=O)[O]89)=[O]3)=O)([O]15)[OH2])C)[OH2].[K+].O.[K+].O.[K+].O.[K+].O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.[K+].O.[K+].O.[K+].O.[K+].O.[Na+].O.O.O.O.O.O.O.O.O
• Title of publication: Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties
• Authors of publication: Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 48
• Pages of publication: 25357
• a: 20.0503 ± 0.0006 Å
• b: 12.634 ± 0.0002 Å
• c: 21.0876 ± 0.0005 Å
• α: 90°
• β: 110.788 ± 0.003°
• γ: 90°
• Cell volume: 4994.1 ± 0.2 ų
• Cell temperature: 149.3 K
• Ambient diffraction temperature: 149.3 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0307
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No