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Information card for entry 2200408
Preview
Coordinates | 2200408.cif |
---|---|
Structure factors | 2200408.hkl |
Original IUCr paper | HTML |
Chemical name | tetradimethylammonium hexahydroxytriacontaoxo- (tetraoxophosphato)dodecamolybdate dichloride |
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Formula | C8 H44 Cl2 Mo12 N4 O44 P |
Calculated formula | C8 H24 Cl2 Mo12 N4 O44 P |
SMILES | C[NH2+]C.C[NH2+]C.C[NH2+]C.O=[Mo]1234[O]56P78=[O][Mo]9%10%11(O[Mo]%12%13(O[Mo]%14%15(=O)([O]%167[Mo]7(O%14)(=O)(O%11)O[Mo]%16(O%15)(=O)(O[Mo]%11%14(O[Mo](O%10)(O8)(O[Mo]8(O[Mo](O[Mo]5(O[Mo]6(O3)(O8)(O%11)=O)(O1)(O%12)=O)(O9)(=O)O%13)(=O)O%14)(O7)=O)=O)O4)O2)=O)=O.[Cl-].[Cl-].O.O.O.C[NH2+]C.O |
Title of publication | [(CH~3~)~2~NH~2~]~4~[H~4~PMo~12~O~40~]Cl~2~·4H~2~O |
Authors of publication | Wu, Chuan-De; Lu, Can-Zhong; Lin, Xiang; Yang, Wen-Bin; Zhuang, Hong-Hui; Huang, Jin-Shun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2001 |
Journal volume | 57 |
Journal issue | 9 |
Pages of publication | m390 - m392 |
a | 14.9803 ± 0.0007 Å |
b | 15.0682 ± 0.0008 Å |
c | 22.6217 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5106.3 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0449 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for all reflections included in the refinement | 0.0898 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2200408.html
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