Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4103094
Preview
Coordinates | 4103094.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | U26Py11 |
---|---|
Formula | K20 O185 P22 U26 |
Calculated formula | K20 O185 P22 U26 |
SMILES | [K+].[K+].O=[U]12345([O]6[U]789([O]%10[O]7[U]7%11%12%10(=O)([O]%10[O]%12[U]%12%13%14%10(=O)(OP%10(=O)OP(=O)(O[U]%15%16%17([O]%18[O]%15[U]%15%19%20%18([O]%18[U]%21%22(OP(=O)(O%11)OP(=O)(O7)O%21)(=O)([O]%15%18)([O]7[O]%22[U]%11%15%187([O]7[U]%21%22(=O)([O]%23[U]%24%25%26(=O)([O]%27[O]%25[U]%25%28%29%27([O]%27[U]%30%31(=O)(OP%32(=O)O[U]%33%34%35%36(OP(=O)(O[U]%37%38%39(=O)([O]%40[O]%38[U]%38%41%42%40([O]%40[U]%43%44(=O)([O]%45[U]%46%47(=O)([O]%48[O]%46[U]%46%49%48([O]%16[O]%17%46)([O]%37[O]%39%49)(=O)=O)([O]%43%45)(=O)OP%16(OP(=O)(O%47)O[U]%17%37([O]%12[O]%14%17)([O]4[O]5%37)(O%16)(=O)=O)=O)(OP4(OP(O%44)(=O)O[U]5%12%14(=O)(O4)([O]4[U]%16%17(=O)([O]%37[O]%16[U]%16%39%37(=O)(OP(O%24)(OP(O%26)(=O)O%16)=O)(=O)[O]%16[U]%24%26(OP%37(=O)O[U]%43%44([O]%25[O]%28%43)([O]%33[O]%35%44)(=O)(OP(O%37)(=O)O%24)=O)(=O)([O]%24[U]%25%28(=O)(OP%33(=O)O[U]%35%37([O]%38[O]%42%35)([O]%34[O]%36%37)(=O)(OP(O%33)(=O)O%25)=O)([O]%12[O]%14%28)([O]%26%24)=O)(=O)[O]%39%16)(=O)([O]54)OP(O1)(OP(O2)(O%17)=O)=O)=O)=O)([O]%41%40)=O)(=O)=O)(=O)OP(=O)(OP(=O)(O%19)O%30)O%20)O%32)(=O)=O)(=O)([O]%11[O]%18%31)[O]%29%27)(=O)=O)([O]%21%23)=O)(=O)([O]%157)OP(OP(=O)(O8)O%22)(=O)O9)(=O)=O)=O)(=O)=O)(=O)(=O)O%10)O%13)=O)=O)(=O)([O]36)=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+] |
Title of publication | Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters |
Authors of publication | Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 13395 - 13402 |
a | 25.225 ± 0.002 Å |
b | 19.7976 ± 0.0019 Å |
c | 27.139 ± 0.003 Å |
α | 90° |
β | 95.21 ± 0.001° |
γ | 90° |
Cell volume | 13497 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0564 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1269 |
Weighted residual factors for all reflections included in the refinement | 0.1299 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/4103094.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.