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Information card for entry 7037800
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Coordinates | 7037800.cif |
---|
Chemical name | K8 Na2 (Cu4 (H2 O)2 (As W9 O34)2) (H2 O)32 |
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Formula | As2 Cu4 H68 K8 Na2 O102 W18 |
Calculated formula | As2 Cu4 K8 Na2 O102 W18 |
SMILES | O=[W]1234=[O][Cu]567([O]89[As]%10%11[O]%12%13[W]%14%15%16(O[W]%17%18%13([O]%13[Cu]%19%20%21([O]%22[W]%23%24(O[W]%25%26(O[W](O[W](O2)(=[O]5)([O]4=%10)(O[W]([O]%11%23%25)(=[O][Cu]248%22[O]5%19[As]8%10[O]%11%19[W]%22%23%25(O[W]%27%19([O]62)(O[W]%11(=O)(O[W]26(=O)(=[O]%20)O[W]%11(O[W](O[W]%19%20(O[W]%28%29(O%27)([O]%10%19[W](=[O][Cu]9%135([O]=[W]%12(=O)(O1)(O%17)O%16)[O]7%28)(=O)(O%11)(O%20)O%29)=O)(=O)O%23)(O2)(O%22)=O)(=[O]%21)([O]=86)=O)(=[O]4)O%25)=O)=O)(=O)(O%26)O%24)=O)(O3)(O%14)=O)(=O)O%15)(O%18)=O)[OH2])=O)=O)[OH2].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[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 |
Title of publication | Rational syntheses, characterization, crystal structure, and replacement reactions of coordinated water molecules of (As2 W18 M4 (H2 O)2 O68)(10-) (M = Cd, Co, Cu, Fe, Mn, Ni or Zn) |
Authors of publication | Bi, L.H.; Peng, J.; Huang, R.-D.; Wang, E.-B.; Hu, C.-W.; Wang, Y.-H. |
Journal of publication | Journal of the Chemical Society. Dalton Transactions |
Year of publication | 2001 |
Journal volume | 2001 |
Pages of publication | 121 - 129 |
a | 11.858 Å |
b | 12.525 Å |
c | 17.107 Å |
α | 82.82° |
β | 71.26° |
γ | 81.79° |
Cell volume | 2372.91 Å3 |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7037800.cif |
172784 | 2016-01-03 | cif/ Adding structures of 7037800 via cif-deposit CGI script. |
7037800.cif |
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Users of the data should acknowledge the original authors of the
structural data.