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Information card for entry 4030345
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Coordinates | 4030345.cif |
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Formula | H148 Mo36 Na8 O186 |
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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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
178482 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/03. |
4030345.cif |
128815 | 2014-12-17 | cif/ Adding structures of 4030345 via cif-deposit CGI script. |
4030345.cif |
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