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Information card for entry 4328375
Preview
Coordinates | 4328375.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | As2 Fe6 H104 Mo20 N16 O100 |
---|---|
Calculated formula | As2 Fe6 Mo20 N2 O114 |
SMILES | [As]12[O]34[Mo]567([O]8[Mo]93([O]3[Mo]%10%11([O]%12[Mo]%13%14(O[Fe]%15%16%17(O[Mo]%18%19%20(O[Mo]%21%22(O[Mo]%23%24%25([O]%26[Fe]%27([O]%28[Mo]%29%30%26(O[Fe]%26%31%32%33[O]%34[As]%35[O]%36%37[Mo]%38%39%40([O]%41[Mo]%42%43(O%26)([O]%26[Mo]%44([O]%45[Mo]%36([O]%39[Mo]%41%26%45(=O)=O)(O[Mo]%37(O[Fe]%34(O%23)(O%21)([O]%31[Fe]%21([O]%16[Fe]%16(O[Mo]%23(O[Mo]%28(O%16)([O]%20%27)([O]%29%21%23)=O)(O%32)(=O)O%30)([O]1%17)(O6)O[Mo]4(O5)(=O)(O9)=O)[O]%18%22%24)O%40)(O%38)(=O)=O)(=O)=O)(=O)([O]%35%43[Mo](O%42)(=O)(O%33)(O%44)=O)=O)=O)=O)=O)([O]%19%25)(=O)=O)=O)(O%15)=O)=O)O[Mo](O%10)(O%13)(=O)([O]2%11%14)=O)([O]7[Mo]83%12(=O)=O)=O)(=O)=O)(=O)=O)=O.O.O.O.O.O.O.N.O.N.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 | Double Sandwich Polyoxometalate and Its Fe(III) Substituted Derivative, [As2Fe5Mo21O82]17- and [As2Fe6Mo20O80(H2O)2]16- |
Authors of publication | Xiangqian Dong; Yanping Zhang; Bin Liu; Yanzhong Zhen; Huaiming Hu; Ganglin Xue |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 2318 - 2324 |
a | 19.521 ± 0.002 Å |
b | 25.924 ± 0.003 Å |
c | 23.421 ± 0.002 Å |
α | 90° |
β | 106.472 ± 0.001° |
γ | 90° |
Cell volume | 11366 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.123 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.1829 |
Weighted residual factors for all reflections included in the refinement | 0.2193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4328375.html
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