Information card for entry 4328053

Structure parameters

• Formula: C24 H80.5 As2 K8.5 N4 Na O106 Tb2 W19
• Calculated formula: C24 As2 K8.5 N4 Na O115.5 Tb2 W19
• SMILES: [W]1234(O[W]567(=O)O[W]89(O1)(O[W]1%10%11(=[O][Tb]%12%13%14([O]=8)([O]=[W]8%15%16(O[W]%17%18(O1)(=O)O[W]1([O]%19%17[W]%17(O%18)(=[O][Tb]%18%20([n]%21c(C(=O)O%18)cccc%21)([O]=8)([O]=[W](=O)(O%17)(O2)([O]35[As]%19[O]9%10)O7)([O]=[W]23([n]5ccccc5C(O3)=O)(O[W]357([O]8[W]9(O2)(O[W]2%10(O[W]%17(=[O]%20)([n]%18ccccc%18C(O%17)=O)(O4)=[O]%12)(=O)[O]4%12[W]%17(O[W]4(O2)(O[W]24([O]%18([As]8%12)[W](=O)(O2)(O7)(O%15)O[W]%18(O%17)(=[O]%14)(O4)=O)(O5)=O)(=O)O9)(O%10)(=O)=[O]%13)(O3)=O)=O)=O)[OH2])(=O)O1)(O6)(=O)O%11)[n]1c(C(=O)O%16)cccc1)[OH2])=O)=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Sensitization of Lanthanoid Luminescence by Organic and Inorganic Ligands in Lanthanoid-Organic-Polyoxometalates
• Authors of publication: Chris Ritchie; Valérie Baslon; Evan G. Moore; Christian Reber; Colette Boskovic
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1142 - 1151
• a: 18.1721 ± 0.0002 Å
• b: 27.0832 ± 0.0003 Å
• c: 25.6972 ± 0.0002 Å
• α: 90°
• β: 103.306 ± 0.001°
• γ: 90°
• Cell volume: 12307.6 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 9
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No