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Information card for entry 4106859
Preview
Coordinates | 4106859.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H51 Cl N6 O2 Zr |
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Calculated formula | C23 H51 Cl N6 O2 Zr |
SMILES | [Zr]123(Cl)(OC(=[N]2CC(C[N]3=C(O1)N(C(C)C)C(C)C)(C)C)N(C(C)C)C(C)C)(N(C)C)[NH](C)C |
Title of publication | Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium |
Authors of publication | David C. Leitch; Rachel H. Platel; Laurel L. Schafer |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 15453 - 15463 |
a | 11.0282 ± 0.0009 Å |
b | 11.7606 ± 0.0009 Å |
c | 12.5485 ± 0.0011 Å |
α | 73.031 ± 0.003° |
β | 84.601 ± 0.004° |
γ | 75.168 ± 0.003° |
Cell volume | 1504.5 ± 0.2 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 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 | 0.0384 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0794 |
Weighted residual factors for all reflections included in the refinement | 0.0825 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/4106859.html
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