Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4319744
Preview
Coordinates | 4319744.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | As8 Ce6 H282 Na40 O422 W80 |
---|---|
Calculated formula | As8 Ce6 Na27.3 O413.7 W80 |
SMILES | [W]12345O[W]678([O]9%10[As]%11[O]%12%13[W]%14(O1)(=O)(O8)O[W]1%12(=O)(=O)O[W]8%13(=O)(O[W]%12%10(=O)(O[W]%109(=O)(O6)O[W]69([O]%13%11[W](=O)(=O)(O1)(O6)O[W]%13(=O)(O%12)(O8)O9)(=O)O[W]168(O[W]9%11%12([O]%13%15[As]%16[O]%17%18[W]%19%20%21(O[W]%22%23%24%25O[W]%26%27%28([O]%29%30[As]%31[O]%32%33[W]%34(O%22)(=O)(O%28)O[W]%22%32(=O)(=O)O[W]%28%33(=O)(O[W]%32%30(=O)(O[W]%30%29(O[W]%29%33(O[W]%35%36%37([O]%38%39[As]%40[O]%41%42[W]%43%44(O3)(=O)O[W]%38(O2)(=O)(O%35)O[W]2%39(=O)(O%36)O[W]3%42(=O)(O%44)O[W]%35%41(=O)(O%43)O[W]%36%38([O]%39%40[W](O%29)(=O)(O%37)(O%36)O[W]%39(=O)(O2)(O3)O%38)(=O)=[O][Ce]([O]=5)([O]=%33)(O[Ce]23([OH2])([O]=[W]5%17(=O)(O%20)O[W]%17%18(=O)(O[W]%15(=O)(O%11)(O[W]%13(O%23)(=O)(O9)O%19)O[W]9%11([O]%13%16[W](=[O]2)(=[O][Ce]2%15%16%18([OH2])([O]=[W]%19%20%23([O]%29%33[As]%36[O]%37%38[W]%39%40%41(O[W]%42%43%44(O[W]%45%46([O]%47%36[W](=[O]2)(=[O]3)(O%23)(O%45)O[W]2%47(=O)(O[W]3%38(=O)(O%40)O[W]%23%37(O[W]%36%37(O[W]%38%40%45([O]%47%48[As]%49[O]%50%51[W]%52(O%36)(=O)(O%45)O[W]%36%50(=O)(=O)O[W]%45%51(=O)(O[W]%50%48(=O)(O[W]%48%47(O[W]%47%51%53(O[W]%54%55%56([O]%57%58[As]%59[O]%60%61[W]%62%63%64(O[W]%65%66(O[W]%67%68%69([O]%70%71[As]%72[O]%73%74[W]%75(O%65)(=O)(O%69)O[W]%65%73(=O)(=O)O[W]%69%74(=O)(O[W]%73%71(=O)(O[W]%70(=O)(O%67)(O[W]%67(=O)(O[W]%70([O]%72[W](=O)(O%73)(O%69)(O%70)O%67)(=O)(=O)O%65)O%43)O%42)O%68)O%75)=O)(O[W]%57(=O)(O%54)(O[W]%42%58(=O)(O%55)O[W]%43%61(=O)(O%64)O[W]%54%60(=O)(O%63)O[W]%55%57([O]%58%59[W](O%47)(=O)(O%56)(O%55)O[W]%58(=O)(O%42)(O%43)O%57)(=O)=[O][Ce]([O]=%66)([O]=%53)(O%15)([OH2])([O]=%54)([OH2])[OH2])O%62)=[O][Ce]([O]=%51)([OH2])([OH2])([OH2])([OH2])([OH2])([O]=%37)[O]=%44)=O)=O)O[W]%15%37([O]%42%49[W](=O)(=O)(O%36)(O%15)O[W]%42(=O)(O%50)(O%45)O%37)(=O)O%48)(=O)O%38)O%40)O%52)=O)(O[W]%29(=O)(O%23)(O%19)O[W]%33(=O)(O3)(O%20)O2)=[O]%16)(=O)O%39)O%46)(=O)O%41)=[O]%18)=O)=O)[OH2])(O5)(O[W]%13(O1)(=O)(O%12)O%11)O9)(=O)O%17)O%21)([OH2])([O]=%25)[O]=8)([OH2])([O]=%35)([OH2])[OH2])=O)(O[W]12([O]3%31[W](=O)(=O)(O%22)(O1)O[W]3(=O)(O%32)(O%28)O2)(=O)O%30)=[O][Ce]([O]=4)([OH2])([OH2])([OH2])([OH2])([OH2])([O]=%24)[O]=6)(=O)O%26)O%27)O%34)=O)=O)=O)O%10)O7)O%14)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[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.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.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[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.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.O.O.O.O.O |
Title of publication | Large Cluster Formation through Multiple Substitution with Lanthanide Cations (La, Ce, Nd, Sm, Eu, and Gd) of the Polyoxoanion [(B-α-AsO3W9O30)4(WO2)4]28-. Synthesis and Structural Characterization |
Authors of publication | Knut Wassermann; Michael T. Pope |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 2763 - 2768 |
a | 20.7021 ± 0.0003 Å |
b | 21.3722 ± 0.0001 Å |
c | 26.9546 ± 0.0003 Å |
α | 74.19° |
β | 86.783 ± 0.001° |
γ | 65.394 ± 0.001° |
Cell volume | 10410.5 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1031 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.1441 |
Weighted residual factors for all reflections included in the refinement | 0.1703 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
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/4319744.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.