Information card for entry 4319743

Structure parameters

• Formula: As4 Cl2 H124 Na30 O202 W40
• Calculated formula: As4 Cl2 Na20.95 O201.4 W40
• SMILES: [W]123(O[W]456([O]78[As]9[O]%10%11[W]%12(O1)(=O)(O6)O[W]1%10(=O)(=O)O[W]6%11(=O)(O[W]%108(=O)(O[W]87(=O)(O4)O[W]47([O]%119[W](=O)(=O)(O1)(O4)O[W]%11(=O)(O%10)(O6)O7)(=O)O[W]1(O8)(O[W]467([O]89[As]%10[O]%11%13[W]%14%15%16(O[W]%17(O[W]%18%19%20([O]%21%22[As]%23[O]%24%25[W]%26(O%17)(=O)(O%20)O[W]%17%24(=O)(=O)O[W]%20%25(=O)(O[W]%24%22(=O)(O[W]%22%21(O[W]%21(O[W]%25%27%28([O]%29%30[As]%31[O]%32%33[W]%34%35(O3)(=O)O[W]%29(O2)(=O)(O%25)O[W]2%30(=O)(O%27)O[W]3%33(=O)(O%35)O[W]%32(=O)(=O)(O%34)O[W]%25%27([O]%29%31[W](O%21)(=O)(O%28)(O%25)O[W]%29(=O)(O2)(O3)O%27)(=O)=O)=O)(O[W]23([O]%21%23[W](=O)(=O)(O%17)(O2)O[W]%21(=O)(O%24)(O%20)O3)(=O)O%22)(=O)=O)(=O)O%18)O%19)O%26)=O)(O[W]8(=O)(O4)(O[W]29(=O)(O6)O[W]3%13(=O)(O%16)O[W]%11(=O)(=O)(O%15)O[W]46([O]8%10[W](O1)(=O)(O7)(O4)O[W]8(=O)(O2)(O3)O6)(=O)=O)O%14)(=O)=O)=O)=O)(=O)=O)O5)O%12)=O)(=O)=O.[Cl-].[Cl-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[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.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Large Cluster Formation through Multiple Substitution with Lanthanide Cations (La, Ce, Nd, Sm, Eu, and Gd) of the Polyoxoanion [(B-α-AsO3W9O30)4(WO2)4]28-. Synthesis and Structural Characterization
• Authors of publication: Knut Wassermann; Michael T. Pope
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2763 - 2768
• a: 19.2004 ± 0.0002 Å
• b: 19.559 ± 0.0002 Å
• c: 30.8717 ± 0.0002 Å
• α: 94.009 ± 0.001°
• β: 99.918 ± 0.001°
• γ: 115.966 ± 0.001°
• Cell volume: 10128.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1567
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No