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Information card for entry 4084855
Preview
Coordinates | 4084855.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H47 F6 Ir N3 P |
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Calculated formula | C33 H47 F6 Ir N3 P |
SMILES | [Ir]12345([c]6(C)[c]3([c]5(C)[c]2([c]46C)C)C)([NH2]C(c2c1ccc1c2cccc1)C)=C1N(CCCC)C=CN1CCCC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Highly Active Cp*Ir Catalyst at Low Temperatures Bearing an N-Heterocyclic Carbene Ligand and a Chelated Primary Benzylamine in Transfer Hydrogenation |
Authors of publication | Sabater, Sara; Baya, Miguel; Mata, Jose A. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 23 |
Pages of publication | 6830 |
a | 8.71445 ± 0.00014 Å |
b | 11.7851 ± 0.0002 Å |
c | 17.6537 ± 0.0003 Å |
α | 101.741 ± 0.0016° |
β | 102.169 ± 0.0014° |
γ | 101.985 ± 0.0016° |
Cell volume | 1674.7 ± 0.05 Å3 |
Cell temperature | 199 ± 3 K |
Ambient diffraction temperature | 199 ± 3 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 | 0.0376 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0849 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 0.7107 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/4084855.html
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Users of the data should acknowledge the original authors of the
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