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Information card for entry 4114596
Preview
Coordinates | 4114596.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H78 Ir2 N6 P2 |
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Calculated formula | C40 H78 Ir2 N6 P2 |
SMILES | [Ir]12([P](C(C)C)(C(C)C)C(C)C)(n3[n]([Ir]4([P](C(C)C)(C(C)C)C(C)C)(n5[n]1c(cc5)CN1CCCCC1)[CH2]=[CH2]4)c(cc3)CN1CCCCC1)[CH2]=[CH2]2 |
Title of publication | Sequential C-H Activation and Dinuclear Insertion of Ethylene Promoted by a Diiridium Complex |
Authors of publication | Yaofeng Yuan; M. Victoria Jiménez; Eduardo Sola; Fernando J. Lahoz; Luis A. Oro |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 752 - 753 |
a | 13.8023 ± 0.0012 Å |
b | 13.8562 ± 0.0012 Å |
c | 13.9187 ± 0.0011 Å |
α | 80.516 ± 0.002° |
β | 71.532 ± 0.002° |
γ | 63.524 ± 0.001° |
Cell volume | 2259.2 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1014 |
Residual factor for significantly intense reflections | 0.0546 |
Weighted residual factors for significantly intense reflections | 0.0751 |
Weighted residual factors for all reflections included in the refinement | 0.0868 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.703 |
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/4114596.html
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Users of the data should acknowledge the original authors of the
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