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Information card for entry 4312566
Preview
Coordinates | 4312566.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H66 F6 N6 O11 S2 W2 |
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Calculated formula | C32 H66 F6 N6 O11 S2 W2 |
SMILES | C1[N]2(C[N]3(C[N]1(C(C)(C)C)[W]23(=O)(=O)O[W]12([N]3(C[N]1(C[N]2(C3)C(C)(C)C)C(C)(C)C)C(C)(C)C)(=O)=O)C(C)(C)C)C(C)(C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
Title of publication | Nucleophilic Reactivity and Oxo/Sulfido Substitution Reactions of MVIO3 Groups (M = Mo, W) |
Authors of publication | David V. Partyka; Richard J. Staples; R. H. Holm |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 7877 - 7886 |
a | 10.089 ± 0.002 Å |
b | 10.534 ± 0.002 Å |
c | 11.855 ± 0.002 Å |
α | 71.09 ± 0.03° |
β | 74.05 ± 0.03° |
γ | 88.16 ± 0.03° |
Cell volume | 1143.8 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1049 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4312566.html
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Users of the data should acknowledge the original authors of the
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