Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015838
Preview
Coordinates | 7015838.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C3 H67 Fe3 K6.5 N3 Na8.5 O140 Si3 Tb3 W30 |
---|---|
Calculated formula | C3 H12 Fe3 K6.5 N3 Na7 O140 Si3 Tb3 W30 |
SMILES | [W]1234(O[W]567(=O)O[W]89%10(O[W]%11%12%13(O[W]%14%15%16(O[W]%17%18(O[W]%19%20%21(=O)O[W]%22%23(=O)(O%14)=[O][Tb]%14%24%25([O]2[Fe]2%26%27%28[O]%14[W]%14%29%30(O[W]%31%32%33(=O)O[W]%34%35%36(O[W]%37(O[W]%38%39(O%36)(O[W]%36%40(O[W]%41%42(O[W]%43%44(=O)([O]%41[Si]%41([O]%32%35[W](=O)(O%34)(O%43)(O[W](O%38)(=O)(O%36)([O]%39%40%41)O%44)O%33)[O]%28%14%37)=[O][Tb]%14%28([OH2])([OH2])([O]%32[W]%33%34%35(=O)O[W]%36%37%38(=O)=[O][Tb]%39%40%41%43([OH2])([O]%20[Fe]([O]=5)([O]%39[W]5%20%39(O[W]%44%45(O[W]%46%47%48(=O)O[W]%49%50(O[W]%51%52(O[W]%53(O%44)([O]%52([W](=O)(O%51)(O%37)(=[O]%40)O%53)[Si]%37([O]%33%38[Fe]%32([O]=5)([O]%14%36)([O]%42%28)[O]=[W](O%20)(O%49)(=O)([O]%46%50%37)O%48)[O]%39%45)(O%47)=O)(=O)O%34)(=O)O%35)(=[O]%41)=O)=O)([O]%21%22[Si]([O]79[W](O%19)(O6)(O%10)(O%17)=O)([O]3[W](O1)(=[O]%25)(=O)(O8)O%11)[O]%13%16%18)([O]%23%43)[O]=4)[OH2])([O]=%31)[O]=%30)(=[O]%26)=O)(=O)=[O]%27)=O)(=O)([O]%242)O%29)=O)=O)([OH2])([O]=%15)[OH2])(=O)O%12)=O)=O)=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=O.C(CN)N.C(CN)N |
Title of publication | Hexameric polyoxometalates decorated by six 3d-4f heterometallic clusters. |
Authors of publication | Zhang, Zhi-Ming; Li, Yang-Guang; Yao, Shuang; Wang, En-Bo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 24 |
Pages of publication | 6475 - 6479 |
a | 20.788 ± 0.011 Å |
b | 35.596 ± 0.017 Å |
c | 38.39 ± 0.02 Å |
α | 90° |
β | 92.015 ± 0.009° |
γ | 90° |
Cell volume | 28390 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 10 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0743 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.1213 |
Weighted residual factors for all reflections included in the refinement | 0.1435 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7015838.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.