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Information card for entry 4314299
Preview
Coordinates | 4314299.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H108 O4 P Si3 V |
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Calculated formula | C48 H108 O4 P Si3 V |
SMILES | C(C)(C)(C)P(=[O][V](O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Symmetry and Geometry Considerations of Atom Transfer: Deoxygenation of (silox)3WNO and R3PO (R = Me, Ph,tBu) by (silox)3M (M = V, NbL (L = PMe3, 4-Picoline), Ta; silox =tBu3SiO) |
Authors of publication | Adam S. Veige; LeGrande M. Slaughter; Emil B. Lobkovsky; Peter T. Wolczanski; Nikita Matsunaga; Stephen A. Decker; Thomas R. Cundari |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 6204 - 6224 |
a | 16.587 ± 0.007 Å |
b | 16.587 ± 0.007 Å |
c | 12.883 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3070 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 159 |
Hermann-Mauguin space group symbol | P 3 1 c |
Hall space group symbol | P 3 -2c |
Residual factor for all reflections | 0.0817 |
Residual factor for significantly intense reflections | 0.0735 |
Weighted residual factors for significantly intense reflections | 0.1965 |
Weighted residual factors for all reflections included in the refinement | 0.2043 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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