Information card for entry 4030345

Structure parameters

• Formula: H148 Mo36 Na8 O186
• Calculated formula: Mo36 Na8 O184
• SMILES: O=[Mo]123(=O)O[Mo]4(O[Mo]567(=O)[O]([Mo](O4)=O)[Mo]489%10(O[Mo]%11(=O)(=O)([O]%10[Mo]%10%12([O]9[Mo]9%13%14([O]74[Mo]47%15([O]6[Mo]6(O1)([O]1[Mo](O2)(=O)(=O)([O]2[Mo]%16(=O)(=O)(O[Mo]%17(O[Mo]%18(O[Mo]%19%20%21%22([O]%23[Mo]%24%25%26(O[Mo]%27(=O)(O[Mo]%28(=O)(=O)(O[Mo]%29%30([O]%31[Mo](O%28)(=O)(=O)([O]%28[Mo]%32(=O)(=O)(O[Mo](O%11)(O[Mo]%11%33([O]%32[Mo]%32%34%31%28(=O)[O]%28%30[Mo]%30([O]%25%29)([O]%19%26[Mo]%19%25%26(O[Mo]%28(=O)([O]%11%34)([O]%30%19)O[Mo]%11(O%33)(=O)(O[Mo](O%26)(O[Mo]([O]%21%25)([O]%18%22)(O%17)(=O)=O)(=O)(=O)O%11)=O)=O)(O%32)O%20)(=O)=O)(=O)(=O)O%10)=O)=O)(=O)O%24)=O%27)(O[Mo]%23=O)=O)=O)=O)(=O)(=O)=O)(O[Mo]%10%11([O]%16[Mo]%1612(=O)([O]46[Mo](=O)(O9)([O]%10%16)([O]%13%15)O[Mo]1(O%11)(=O)(O[Mo](O%14)(O%12)(=O)(=O)O1)=O)O7)(=O)=O)(=O)=O)=O)=O)(=O)O5)O8)=O)(=O)=O)=O)=O)(=O)(=O)O3.O.[Na+].O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.[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.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Structure and bonding in the high molecular weight isopolymolybdate ion, [Mo36O112(H2O)16]8-. The crystal structure of Na8[Mo36O112(H2O)16].58H2O
• Authors of publication: Krebs, B.; Stiller, S.; Tytko, K. H.; Mehmke, J.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1991
• Journal volume: 28
• Pages of publication: 883 - 903
• a: 32.971 ± 0.01 Å
• b: 19.662 ± 0.007 Å
• c: 25.288 ± 0.008 Å
• α: 90°
• β: 95.73 ± 0.02°
• γ: 90°
• Cell volume: 16312 ± 9 ų
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No