Information card for entry 2205291

Structure parameters

• Chemical name: Heptaammonium disodium decatungstolanthanate hexadecahydrate
• Formula: H60 La N7 Na2 O52 W10
• Calculated formula: La N7 Na2 O52 W10
• SMILES: [W]1234(O[W]567(=[O][La]89%10%11([O]=1)([O]=[W]1%12([O]%1325[W](=O)(O1)(O6)(O[W]%13(O%12)(O4)(=O)=[O]%10)O3)(=O)O7)[O]=[W]123([O]456[W]7%10(=O)(O1)O[W]4(O3)(=O)(O[W]5(O%10)(=O)(O[W]6(O7)(O2)(=O)=[O]%11)=[O]9)=[O]8)=O)=O)=O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: A lanthanum(III) complex with a lacunary polyoxotungstate: Na~2~(NH~4~)~7~[La(W~5~O~18~)~2~]·16H~2~O
• Authors of publication: Almeida Paz, Filipe A.; Balula, Maria Salete S.; Cavaleiro, Ana M. V.; Klinowski, Jacek; Nogueira, Helena I. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: i28 - i31
• a: 11.784 ± 0.002 Å
• b: 14.838 ± 0.003 Å
• c: 29.143 ± 0.006 Å
• α: 90°
• β: 93.26 ± 0.03°
• γ: 90°
• Cell volume: 5087.4 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes