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Information card for entry 4114996
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Coordinates | 4114996.cif |
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Common name | tungsten sulfide cluster |
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Chemical name | octakis(mu!3$-sulfido)-pentakis(tert-butylpyridine)-triethylphosphine- hexa-tungsten bezene solvate |
Formula | C68 H97 N5 P S8 W6 |
Calculated formula | C67.92 H96.92 N5 P S8 W6 |
Title of publication | The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters |
Authors of publication | Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 9229 - 9240 |
a | 16.1816 ± 0.0004 Å |
b | 15.9178 ± 0.0004 Å |
c | 29.4907 ± 0.0008 Å |
α | 90° |
β | 91.4768 ± 0.001° |
γ | 90° |
Cell volume | 7593.6 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1579 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for all reflections | 0.166 |
Weighted residual factors for significantly intense reflections | 0.1122 |
Goodness-of-fit parameter for all reflections | 1.099 |
Goodness-of-fit parameter for significantly intense reflections | 1.205 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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