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Information card for entry 4074527
Preview
Coordinates | 4074527.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H50 N2 O4 P2 W |
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Calculated formula | C48 H50 N2 O4 P2 W |
SMILES | N1(c2c(O[W]3([P](C)(C)C)([P](C)(C)C)(Oc4c1cccc4)Oc1c(N(c4c(O3)cccc4)c3ccccc3)cccc1)cccc2)c1ccccc1.c1ccccc1 |
Title of publication | C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes |
Authors of publication | Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 25 |
Pages of publication | 5839 |
a | 10.027 ± 0.007 Å |
b | 12.188 ± 0.008 Å |
c | 17.573 ± 0.013 Å |
α | 90° |
β | 105.791 ± 0.012° |
γ | 90° |
Cell volume | 2067 ± 3 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 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 | 0.0972 |
Residual factor for significantly intense reflections | 0.0723 |
Weighted residual factors for significantly intense reflections | 0.1724 |
Weighted residual factors for all reflections included in the refinement | 0.1871 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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