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Information card for entry 7100547
Preview
Coordinates | 7100547.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Co2 Fe8 H88 K12 O158 P4 W28 |
---|---|
Calculated formula | Co2 Fe8 K12 O158 P4 W28 |
SMILES | [K+].O=[W]1234O[W]567(O[W]89%10(=O)O[W]%11%12%13(O5)=[O][Fe]5%14%15%16O[Fe]%17%18%19%20O[Fe]%21%22%23%24O[Fe]%25%26([O]=%11)(=[O][W]%11%27(O8)(=O)O[W]8(O9)(=O)(O1)O[W]19%28(O[W]%29(O%11)(=O)(=[O]%21)O[W]%11%21(=O)(O%28)O[W]%28(=[O]%22)(=[O]%17)(=[O][Co]([OH2])([OH2])([OH2])([OH2])[O]=[W]%17%22%30%31O[W]%32%33%34(=O)O[W]%35%36(O%17)(=O)O[W]%17%37%38(O[W]%39%40(O%33)(O[W]%33%41(O%32)(=[O][Fe]%32%42(O[Fe]%43%44%45(O[Fe]%46%47%48(O%25)O[Fe]%25([O]=%22)(O%32)([O]=[W](O%35)(O%17)(=O)(O[W]%17(=O)(O[W]%22%32(=O)O[W]%35(=[O]%44)(=[O]%46)(=[O][Co]([OH2])([OH2])([OH2])([OH2])[O]=%13)O[W]%13%44(=O)(O[W]%46(O%33)(=O)(=[O]%43)O[W]%33(O%39)(=O)(O[W](=O)(O%37)(O%17)([O]%33P([O]%45%46)([O]%35%44)=[O]%48)O%32)O%13)O%22)=[O]%47)[O]%25=P([O]%38%40)([O]%41%42)[O]%31%34%36)O%23)O%16)([O]=%30)O%19)=O)=O)=O)O[W]%13(O[W](O[W](O6)(O2)(=O)(=[O]%14)[O]%15=P([O]48)([O]%26%27)[O]7%10%12)(O[W](=O)(O3)(O1)([O]9P([O]%24%29)([O]%21%28)=[O]%20)O%13)(=O)=[O]%18)(=O)O%11)=O)O5)=O.[K+].O.[K+].O.[K+].O.[K+].O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].[K+].O.[K+].O.[K+].O.[K+].O.[K+].O.O.O.O.O.O.O.O.O.O.O |
Journal of publication | Chemical Communications |
Year of publication | 2005 |
a | 17.741 ± 0.003 Å |
b | 18.021 ± 0.003 Å |
c | 24.052 ± 0.006 Å |
α | 90° |
β | 103.53 ± 0.01° |
γ | 90° |
Cell volume | 7476 ± 3 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
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/7100547.html
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Users of the data should acknowledge the original authors of the
structural data.