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Information card for entry 4117332
Preview
Coordinates | 4117332.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | As6 H192 K34.5 Mo18 Na1.5 O312 S18 W54 |
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Calculated formula | As6 K28.5 Mo18 O278.38 S18 W54 |
Title of publication | Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold |
Authors of publication | Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 1724 - 1737 |
a | 21.112 ± 0.0009 Å |
b | 44.991 ± 0.0017 Å |
c | 38.4158 ± 0.0013 Å |
α | 90° |
β | 96.196 ± 0.002° |
γ | 90° |
Cell volume | 36276 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0775 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1235 |
Weighted residual factors for all reflections included in the refinement | 0.1521 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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