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Information card for entry 7112898
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Coordinates | 7112898.cif |
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Original paper (by DOI) | HTML |
Common name | (dippe)Ir(BCat)3 |
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Formula | C32 H44 B3 Ir O6 P2 |
Calculated formula | C32 H44 B3 Ir O6 P2 |
Title of publication | Electronic effects in iridium C-H borylations: insights from unencumbered substrates and variation of boryl ligand substituents. |
Authors of publication | Vanchura, 2nd, Britt A; Preshlock, Sean M.; Roosen, Philipp C.; Kallepalli, Venkata A.; Staples, Richard J.; Maleczka, Jr, Robert E; Singleton, Daniel A.; Smith, 3rd, Milton R |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 41 |
Pages of publication | 7724 - 7726 |
a | 11.5773 ± 0.0003 Å |
b | 19.1172 ± 0.0006 Å |
c | 15.8919 ± 0.0005 Å |
α | 90° |
β | 99.009 ± 0.002° |
γ | 90° |
Cell volume | 3473.89 ± 0.18 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0671 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.1042 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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