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Information card for entry 4313736
Preview
Coordinates | 4313736.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H F10 O5 P W |
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Calculated formula | C17 H F10 O5 P W |
SMILES | [PH](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Bis(trifluoromethyl)phosphane and Bis(pentafluorophenyl)phosphane and Their Pentacarbonyl Tungsten Complexes: Improved Synthesis and an Experimental and Density Functional Study |
Authors of publication | Berthold Hoge; Tobias Herrmann; Christoph Thösen; Ingo Pantenburg |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3623 - 3632 |
a | 15.967 ± 0.002 Å |
b | 7.4776 ± 0.0007 Å |
c | 17.151 ± 0.003 Å |
α | 90° |
β | 107.36° |
γ | 90° |
Cell volume | 1954.5 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0411 |
Weighted residual factors for all reflections included in the refinement | 0.0453 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.825 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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