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Information card for entry 4129905
Preview
Coordinates | 4129905.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H36 B Cl Ir P2 |
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Calculated formula | C24 H36 B Cl Ir P2 |
SMILES | [Ir]12(Cl)[P](c3c(cccc3)B2c2ccccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C |
Title of publication | Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes. |
Authors of publication | Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 7 |
Pages of publication | 2086 - 2089 |
a | 15.462 ± 0.009 Å |
b | 15.664 ± 0.009 Å |
c | 21.667 ± 0.012 Å |
α | 90° |
β | 90.466 ± 0.006° |
γ | 90° |
Cell volume | 5248 ± 5 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0295 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for significantly intense reflections | 0.0615 |
Weighted residual factors for all reflections included in the refinement | 0.0632 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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