Information card for entry 7223111

Structure parameters

• Formula: C4 H6 Ge2 K8 Na6 O108 Pr2 W22
• Calculated formula: C4 H6 Ge2 K8 Na6 O108 Pr2 W22
• SMILES: C1(=[O][Pr]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(=O)(O[W]%17%18(O%15)(=O)O[W]%15%19(O%13)(=O)O[W]%13%20(O%12)(=O)O[W]%12(O%10)(=O)(O6)[O]6%13[Ge]([O]%11%14%16)([O]79)[O]%18%19[W](=O)(O%17)(O%15)(O[W]6(O%20)(O%12)(=O)=[O]4)=[O]3)(=[O]2)O8)=O)([OH2])[O]1[Pr]1234([O]=[W]678(O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)O[W]9(=O)(O[W]%17%18(O%15)(=O)O[W]%15%19(O%13)(=O)O[W]%13%20(O%12)(=O)O[W]%12(O%10)(=O)(O6)[O]6%13[Ge]([O]%11%14%16)([O]79)[O]%18%19[W](=O)(O%17)(O%15)(O[W]6(O%20)(O%12)(=O)=[O]3)=[O]2)(=[O]1)O8)=O)([OH2])[O]=C(C)[O]54)C.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[K+].[K+].[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[K+].[K+].[K+].[K+].[Na+]
• Title of publication: Syntheses, crystal structure, electrochemistry and luminescence properties of lanthano-germanotungstates
• Authors of publication: Gupta, Rakesh; Hussain, Firasat; Behera, Jogendra Nath; Bossoh, Amoassi Martin; Mbomekalle, Israel Martyr; Oliveira, Pedro Almeida-de
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 20.268 ± 0.0008 Å
• b: 12.7357 ± 0.0004 Å
• c: 21.3024 ± 0.0007 Å
• α: 90 ± 0.003°
• β: 110.614 ± 0.003°
• γ: 90 ± 0.003°
• Cell volume: 5146.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 8
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No