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Information card for entry 4067034
Preview
Coordinates | 4067034.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H46 Ir N2 O5 P2 |
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Calculated formula | C39 H45 Ir N2 O5 P2 |
SMILES | [Ir]12([P@](O)(c3c(C4=[N]1[C@H](CO4)C(C)(C)C)cccc3)c1ccccc1)([P@](=O)(OC)c1ccccc1)[N]1[C@H](COC=1c1ccccc21)C(C)(C)C |
Title of publication | Unprecedented Reactivity of Iridium(I) Secondary Phosphine Oxide Complexes: Formation of P-Coordinated Phosphinate Complexes by P−Aryl Bond Cleavage |
Authors of publication | Liniger, Marc; Gschwend, Björn; Neuburger, Markus; Schaffner, Silvia; Pfaltz, Andreas |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 22 |
Pages of publication | 5953 |
a | 11.4838 ± 0.0001 Å |
b | 18.012 ± 0.0002 Å |
c | 18.1146 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3746.94 ± 0.07 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0218 |
Residual factor for significantly intense reflections | 0.0182 |
Weighted residual factors for all reflections | 0.0216 |
Weighted residual factors for significantly intense reflections | 0.019 |
Weighted residual factors for all reflections included in the refinement | 0.0186 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0903 |
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/4067034.html
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Users of the data should acknowledge the original authors of the
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