Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4300054
Preview
Coordinates | 4300054.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | As4 Cu4 H98 Na16 O161 W30 |
---|---|
Calculated formula | As4 Cu4 Na16 O161 W30 |
SMILES | [W]1234(=O)O[W]567(=[O][Cu]89%10([O]%11%12[As]%13%14=[O]%15[W]%16%17%18(O[W]%19%20%21(=O)O[W]%22%23%24(O[W]%25%26(=O)(O[W]%27%28(=O)(O[W]%29%30(O[W]%31%32%33(O[W]%34%35(=O)(O[W](O[W](O5)([O]7%13)(O8)(O[W]%15(=[O][Cu]578%11[O]%18[Cu]%11%13%15([O]([W](O%22)(O1)([O]2%14)(O%17)=O)[Cu]1%12(O3)([O]=[W]23%12([O]%14[W]%17(O[W]%18%22%36(=O)O[W]%37%38%39(O[W]%40%41%42(=O)O[W]%43%44%45(=O)O[W]%46%47(O[W]%48%49(O[W]%50(=O)(O[W](O[W]%51(O[W]%52(O%11)(O[W]%11(=O)(O[W]([O]95)(O%37)([O]%11[As]%14[O]%51%52)(O%17)=O)(O8)O%42)(=O)O%43)(O%15)(O3)=O)(O%48)(O%44)(=O)[O]%45[As]([O]%38%40)[O]%36%50)(O%22)O%12)(O[W](O%18)(O%46)(O%39)([O]%47%49)=O)=O)(=O)O%41)=O)(O2)([O]%101)=O)=O)[O]7%13)[OH2])(O%16)(=O)O%35)=O)(O%32)(O%27)(=O)[O]%28=[As]([O]%23%25)([O]%21%34)[O]%30%33[W](O%19)(O%31)(O%29)(O%24)=O)O%20)=O)(=O)O%26)O6)O4)=O)=O)[OH2])=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].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 | Crystal Structure and Replacement Reaction of Coordinated Water Molecules of the Heteropoly Compounds of Sandwich-Type Tungstoarsenates |
Authors of publication | Li-Hua Bi; En-Bo Wang; Jun Peng; Ru-Dan Huang; Lin Xu; Chang-Wen Hu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 671 - 679 |
a | 12.721 ± 0.003 Å |
b | 24.516 ± 0.005 Å |
c | 26.45 ± 0.005 Å |
α | 89.9 ± 0.03° |
β | 77.32 ± 0.03° |
γ | 89.96 ± 0.03° |
Cell volume | 8048 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.174 |
Residual factor for significantly intense reflections | 0.0974 |
Weighted residual factors for all reflections | 0.3109 |
Weighted residual factors for significantly intense reflections | 0.232 |
Goodness-of-fit parameter for all reflections | 0.889 |
Goodness-of-fit parameter for significantly intense reflections | 1.167 |
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/4300054.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.