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Information card for entry 4116777
Preview
Coordinates | 4116777.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | H100 Mn3 N Na11 O114 Sb2 W18 |
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Calculated formula | Mn3 Na11 O115 Sb2 W18 |
SMILES | O=[W]1234=[O][Mn]5([OH2])([O]=[W]67(O1)(=O)O[W]189(=O)O[W]%10%11(=O)(O[W]%12%13%14(=O)O[W]%15(O2)(=O)([O]24[W]4(O3)(O%15)(=O)O[W]3(O%12)([O]%10%13[Sb]2[O]68[W](O9)(O7)(O4)(=O)O3)(O%11)=O)=[O][Mn]23([OH2])[O]=%14)=[O][Mn]46([OH2])[O]=1)[O]=[W]178(=O)O[W]9%10(=O)(=[O]5)O[W]5%11(=O)(=[O]3)O[W]3%12(=O)(=[O]2)O[W]2%13(=O)(=[O]4)O[W]4(O1)(=O)(=[O]6)[O]18[W]6(O7)(O4)(=O)O[W]4(O2)(O3)(=O)[O]%12%13[Sb]1[O]9%11[W](O5)(O%10)(O4)(O6)=O.O.[Na+].O.O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.[Na+].[Na+].O.O.[Na+].O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Highly Efficient Catalysts in Directed Oxygen-Transfer Processes: Synthesis, Structures of Novel Manganese-Containing Heteropolyanions, and Applications in Regioselective Epoxidation of Dienes with Hydrogen Peroxide |
Authors of publication | Michael Bösing; Andreas Nöh; Ina Loose; Bernt Krebs |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1998 |
Journal volume | 120 |
Pages of publication | 7252 - 7259 |
a | 14.209 ± 0.003 Å |
b | 23.336 ± 0.005 Å |
c | 32.334 ± 0.006 Å |
α | 90° |
β | 99.08 ± 0.03° |
γ | 90° |
Cell volume | 10587 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0935 |
Residual factor for significantly intense reflections | 0.0826 |
Weighted residual factors for all reflections | 0.2345 |
Weighted residual factors for significantly intense reflections | 0.2189 |
Goodness-of-fit parameter for all reflections | 1.069 |
Goodness-of-fit parameter for significantly intense reflections | 1.09 |
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/4116777.html
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