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Information card for entry 4112785
Preview
Coordinates | 4112785.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | H63 K6 Mo12 O60 P3 S12 |
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Calculated formula | K6 Mo12 O60 P3 S12 |
Title of publication | Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution |
Authors of publication | Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 9127 - 9134 |
a | 11.1863 ± 0.0002 Å |
b | 26.3305 ± 0.0003 Å |
c | 29.6214 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8724.71 ± 0.19 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0562 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1269 |
Weighted residual factors for all reflections included in the refinement | 0.1355 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/4112785.html
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Users of the data should acknowledge the original authors of the
structural data.