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Information card for entry 7041794
Preview
Coordinates | 7041794.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H33 N P2 Pd S |
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Calculated formula | C42 H33 N P2 Pd S |
SMILES | [Pd]12([N](=P(c3c2cccc3)(c2ccccc2)c2ccccc2)c2ccccc2S1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane. |
Authors of publication | Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 8 |
Pages of publication | 2572 - 2593 |
a | 13.2739 ± 0.0015 Å |
b | 14.8318 ± 0.0014 Å |
c | 18.65 ± 0.002 Å |
α | 90° |
β | 100.915 ± 0.003° |
γ | 90° |
Cell volume | 3605.3 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1131 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1251 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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