Information card for entry 1100737

Structure parameters

• Formula: Cl4 H92 K4 Na6 Nd O162 P4 W34
• Calculated formula: Cl4 K4 Na4 Nd O162 P4 W34
• SMILES: [Nd]123456(O[W]789(=O)[O]=P%10%11[O]%12[W]%13%14(=O)(O8)O[W]8%15%16(=O)[O]%17[W]%18%19(=O)(O%15)O[W]%15%20%21(=O)[O]%22[W]%23(=O)(O[W]%24%25(=O)(O3)[O]3[W](=O)(O%24)(O8)(O[W]8%24(=O)([O]%26([W](=O)(O%18)(O%20)(O8)O[W]%26(=O)(O%25)(O%23)O%24)P%17%22=3)O%16)O7)(O%15)O[W]37(=O)(O1)[O]%10[W]1(=O)(O[W]%12(=O)(O%13)(O%19)O[W]8%10(=O)([O]%12%11[W](=O)(O9)(O%14)(O8)O[W]%12(=O)(O2)(O7)O%10)O1)(O%21)O3)O[W]123(=O)[O]=P78[O]9[W]%10%11(=O)(O1)O[W]1%12%13(=O)[O]%14[W]%15%16(=O)(O%12)O[W]%12%17%18(=O)[O]%19[W]%20(=O)(O[W]%21%22(=O)(O4)[O]4[W](=O)(O%21)(O1)(O[W]1%21(=O)([O]%23([W](=O)(O%15)(O%17)(O1)O[W]%23(=O)(O%22)(O%20)O%21)P%14%19=4)O%13)O2)(O%12)O[W]12(=O)(O5)[O]7[W]4(=O)(O[W]9(=O)(O%10)(O%16)O[W]57(=O)([O]98[W](=O)(O3)(O%11)(O5)O[W]9(=O)(O6)(O1)O7)O4)(O%18)O2.[K+].[K+].[Cl-].[Cl-].[Na+].[Na+].[K+].[K+].[Cl-].[Cl-].[Na+].[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.O.O
• Title of publication: Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates
• Authors of publication: Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3569 - 3578
• a: 41.072 ± 0.008 Å
• b: 16.152 ± 0.003 Å
• c: 24.933 ± 0.005 Å
• α: 90°
• β: 104.63 ± 0.03°
• γ: 90°
• Cell volume: 16004 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1846
• Residual factor for significantly intense reflections: 0.1221
• Weighted residual factors for significantly intense reflections: 0.2982
• Weighted residual factors for all reflections included in the refinement: 0.3469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No