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Information card for entry 4089418
Preview
Coordinates | 4089418.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39.5 H59 N2 O2 Ti |
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Calculated formula | C39.5 H59 N2 O2 Ti |
Title of publication | Alkyne Hydroamination and Trimerization with Titanium Bis(phenolate)pyridine Complexes: Evidence for Low-Valent Titanium Intermediates and Synthesis of an Ethylene Adduct of Titanium(II) |
Authors of publication | Tonks, Ian A.; Meier, Josef C.; Bercaw, John E. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 12 |
Pages of publication | 3451 |
a | 17.7536 ± 0.0005 Å |
b | 10.5239 ± 0.0003 Å |
c | 20.788 ± 0.0006 Å |
α | 90° |
β | 104.343 ± 0.002° |
γ | 90° |
Cell volume | 3762.91 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1167 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.0614 |
Weighted residual factors for all reflections included in the refinement | 0.0627 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4089418.html
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