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Information card for entry 4082269
Preview
Coordinates | 4082269.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H42 Cl Ir N2 O |
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Calculated formula | C33 H42 Cl Ir N2 O |
SMILES | [Ir]12345(Cl)(=C6N(C=CN6[C@@H](C)c6ccccc6)[C@@H](C)c6c1cccc6)[c]1([c]2(C)[c]3([c]4(C)[c]51C)C)C.O1CCCC1 |
Title of publication | Enantioselective Preparation of a Chiral-at-Metal Cp*Ir(NHC) Complex and Its Application in the Catalytic Diboration of Olefins |
Authors of publication | Corberán, Rosa; Lillo, Vanessa; Mata, José A.; Fernandez, Elena; Peris, Eduardo |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 17 |
Pages of publication | 4350 |
a | 8.5458 ± 0.0006 Å |
b | 15.2243 ± 0.001 Å |
c | 23.9895 ± 0.0015 Å |
α | 90° |
β | 90.042 ± 0.002° |
γ | 90° |
Cell volume | 3121.1 ± 0.4 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0863 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1124 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation probe | x-ray |
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/4082269.html
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