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Information card for entry 7036656
Preview
Coordinates | 7036656.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H68 F6 Ir N2 O7 P5 Si |
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Calculated formula | C50 H68 F6 Ir N2 O7 P5 Si |
SMILES | O(CC)CC.C1[Si]2(C)N(c3ccc(cc3)C)[P](c3ccccc3)(c3ccccc3)[IrH]1([P](c1ccccc1)(c1ccccc1)N2c1ccc(cc1)C)([P](OC)(OC)OC)[P](OC)(OC)OC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Intramolecular C-H oxidative addition to iridium(i) triggered by trimethyl phosphite in N,N'-diphosphanesilanediamine complexes. |
Authors of publication | Passarelli, Vincenzo; Pérez-Torrente, Jesús J; Oro, Luis A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 42 |
Pages of publication | 18596 - 18606 |
a | 11.9408 ± 0.0009 Å |
b | 31.183 ± 0.002 Å |
c | 14.8638 ± 0.0011 Å |
α | 90° |
β | 93.576 ± 0.001° |
γ | 90° |
Cell volume | 5523.8 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Weighted residual factors for all reflections included in the refinement | 0.0872 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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