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Information card for entry 4312557
Preview
Coordinates | 4312557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H42 F3 Mo N3 O6 S Si |
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Calculated formula | C19 H42 F3 Mo N3 O6 S Si |
SMILES | [Mo]12(O[Si](C(C)C)(C(C)C)C(C)C)(=O)([N]3(CC[N]1(CC[N]2(CC3)C)C)C)=O.S(=O)(=O)([O-])C(F)(F)F |
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 | 8.3223 ± 0.0017 Å |
b | 30.128 ± 0.006 Å |
c | 11.041 ± 0.002 Å |
α | 90° |
β | 93.91 ± 0.03° |
γ | 90° |
Cell volume | 2761.9 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0846 |
Residual factor for significantly intense reflections | 0.0572 |
Weighted residual factors for significantly intense reflections | 0.1128 |
Weighted residual factors for all reflections included in the refinement | 0.1225 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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