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Information card for entry 4089610
Preview
Coordinates | 4089610.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Pentacarbonyl-cyclohexylamino-furan-2-yl-methyledene-tungsten |
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Formula | C16 H15 N O6 W |
Calculated formula | C16 H15 N O6 W |
SMILES | [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(NC1CCCCC1)c1ccco1 |
Title of publication | Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials |
Authors of publication | Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5491 |
a | 6.643 ± 0.005 Å |
b | 9.372 ± 0.005 Å |
c | 15.311 ± 0.005 Å |
α | 74.975 ± 0.005° |
β | 86.258 ± 0.005° |
γ | 69.921 ± 0.005° |
Cell volume | 864.4 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0313 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0707 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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