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Information card for entry 4322039
Preview
Coordinates | 4322039.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Bi2 Co1.66 Na8.8 O102 W20.34 |
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Calculated formula | Bi2 Co1.66 Na8.8 O102 W20.34 |
SMILES | [Bi]12[O]34[W]567(=O)O[W]89%10(=O)[O][W]%113(O6)(=O)O[W]34(O7)(=O)[O][W]467([O]%121[W]1(=O)(O5)(O4)O[W]45([O]28[W]28(O%10)(O5)=[O][Co]5([OH2])([OH2])([O]=[W]%10%13%14([O]%15%16[Bi]%17[O]%18%19[W]%20%21%22(O[W]%23%24%18(=O)O[W]%18%19(=O)(O[W]%19%25([O]%26%17[W](O%19)(O%14)(O[W]%26(O%25)(O%18)(=O)O[W](O%11)(O2)(O%22)(=O)=O)(=O)=[O]5)(=O)O[W]%15(=O)(O%23)(O[W]%16(O%24)(O%13)(=O)O[W](O%21)(O[W]%12(O6)(O1)(O4)=O)(O8)(=O)=O)O%10)O%20)=[O][Co]([O]=3)([O]=7)([OH2])([OH2])[OH2])=O)[OH2])(=O)O9)=O.[Na+].O.O.[Na+].O.O.O.[Na+].O.[Na+].O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.[Na+].O.[Na+].O.O.O.[Na+].O.O.O.O.O.O |
Title of publication | Heteropolymetalate Clusters of the Subvalent Main Group Elements BiIII and SbIII |
Authors of publication | Ina Loose; Elisabeth Droste; Michael Bösing; Heinrich Pohlmann; Michael H. Dickman; Cristina Rosu; Michael T. Pope; Bernt Krebs |
Journal of publication | Inorganic Chemistry |
Year of publication | 1999 |
Journal volume | 38 |
Pages of publication | 2688 - 2694 |
a | 12.583 ± 0.0001 Å |
b | 26.4969 ± 0.0001 Å |
c | 12.8111 ± 0.0001 Å |
α | 90° |
β | 93.0076 ± 0.0004° |
γ | 90° |
Cell volume | 4265.47 ± 0.05 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0753 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for all reflections | 0.1164 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Goodness-of-fit parameter for all reflections | 1.109 |
Goodness-of-fit parameter for significantly intense reflections | 1.159 |
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/4322039.html
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