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Information card for entry 4083341
Preview
Coordinates | 4083341.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H84 K N4 O8 Ti |
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Calculated formula | C56 H84 K N4 O8 Ti |
SMILES | [Ti]123456789(N(=O)=NC(=C2c2ccccc2)c2ccccc2)([c]2([c]1([c]3([c]6([c]72C)C)C)C)C)[c]1([c]4([c]8([c]5(C)[c]91C)C)C)C.[K]1234567[O]8CC[O]4CC[N]47CC[O]6CC[O]1CC[N]5(CC8)CC[O]2CC[O]3CC4.C1COCC1 |
Title of publication | Functionalization of Complexed N2O in Bis(pentamethylcyclopentadienyl) Systems of Zirconium and Titanium. |
Authors of publication | Mindiola, Daniel J.; Watson, Lori A.; Meyer, Karsten; Hillhouse, Gregory L. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 11 |
Pages of publication | 2760 - 2769 |
a | 13.0606 ± 0.0012 Å |
b | 13.7599 ± 0.0013 Å |
c | 15.8547 ± 0.0015 Å |
α | 97.746 ± 0.002° |
β | 104.352 ± 0.002° |
γ | 91.05 ± 0.003° |
Cell volume | 2731.2 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0877 |
Residual factor for significantly intense reflections | 0.0726 |
Weighted residual factors for significantly intense reflections | 0.1776 |
Weighted residual factors for all reflections included in the refinement | 0.1842 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4083341.html
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Users of the data should acknowledge the original authors of the
structural data.