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Information card for entry 4070261
Preview
Coordinates | 4070261.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H65 B Ir N O P2 |
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Calculated formula | C44 H65 B Ir N O P2 |
SMILES | [IrH2]12([P](CC[NH]2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)=C1OCCC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Facile Double C−H Activation of Tetrahydrofuran by an Iridium PNP Pincer Complex |
Authors of publication | Meiners, Jenni; Friedrich, Anja; Herdtweck, Eberhardt; Schneider, Sven |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 21 |
Pages of publication | 6331 |
a | 11.4149 ± 0.0003 Å |
b | 13.8996 ± 0.0004 Å |
c | 14.3394 ± 0.0004 Å |
α | 75.453 ± 0.002° |
β | 69.695 ± 0.002° |
γ | 86.219 ± 0.002° |
Cell volume | 2064.78 ± 0.1 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0301 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0624 |
Weighted residual factors for all reflections included in the refinement | 0.0634 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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/4070261.html
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Users of the data should acknowledge the original authors of the
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