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Information card for entry 4104269
Preview
Coordinates | 4104269.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H31 Cl2 N4 O2 Ta |
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Calculated formula | C26 H31 Cl2 N4 O2 Ta |
SMILES | [Ta]12(Cl)(Cl)(N(c3c(N1C(C)C)cc(OC)cc3)c1c(N2C(C)C)cc(OC)cc1)=Nc1ccccc1 |
Title of publication | One- and Two-Electron Reactivity of a Tantalum(V) Complex with a Redox-Active Tris(amido) Ligand |
Authors of publication | Andy I. Nguyen; Karen J. Blackmore; Shawn M. Carter; Ryan A. Zarkesh; Alan F. Heyduk |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 3307 - 3316 |
a | 9.3551 ± 0.0006 Å |
b | 9.843 ± 0.0007 Å |
c | 14.4426 ± 0.001 Å |
α | 94.5768 ± 0.0008° |
β | 97.6611 ± 0.0008° |
γ | 92.9604 ± 0.0009° |
Cell volume | 1311.22 ± 0.15 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0285 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0611 |
Weighted residual factors for all reflections included in the refinement | 0.0631 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4104269.html
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Users of the data should acknowledge the original authors of the
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