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Information card for entry 4114595
Preview
Coordinates | 4114595.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H78 Ir2 N6 P2 |
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Calculated formula | C40 H78 Ir2 N6 P2 |
SMILES | [IrH]123([Ir]4([P](C(C)C)(C(C)C)C(C)C)([n]5n1ccc5CN1CCCCC1)([n]1n2ccc1CN1CCCCC1)[CH](CC3)=[CH2]4)[P](C(C)C)(C(C)C)C(C)C |
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 | 12.1916 ± 0.0009 Å |
b | 15.2167 ± 0.0011 Å |
c | 24.6036 ± 0.0017 Å |
α | 90° |
β | 100.1 ± 0.002° |
γ | 90° |
Cell volume | 4493.6 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.095 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections included in the refinement | 0.0892 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.813 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4114595.html
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