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Information card for entry 7016581
Preview
Coordinates | 7016581.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H24 Ir N O6 |
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Calculated formula | C17 H24 Ir N O6 |
SMILES | [Ir]1234(OC(=O)c5[n]2c(ccc5)C(=O)O1)(C1CCC3=C4CCC1)[OH]C.CO |
Title of publication | Unsaturated iridium pyridinedicarboxylate pincer complexes with catalytic activity in borylation of arenes. |
Authors of publication | Hanh Nguyen, Duc; Pérez-Torrente, Jesús J; Lomba, Laura; Victoria Jiménez, M; Lahoz, Fernando J.; Oro, Luis A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 33 |
Pages of publication | 8429 - 8435 |
a | 12.5949 ± 0.0007 Å |
b | 13.7791 ± 0.0008 Å |
c | 11.4521 ± 0.0007 Å |
α | 90° |
β | 116.418 ± 0.001° |
γ | 90° |
Cell volume | 1779.92 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0321 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0588 |
Weighted residual factors for all reflections included in the refinement | 0.0607 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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