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Information card for entry 4131464
Preview
Coordinates | 4131464.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H51 I N4 O Pd Yb |
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Calculated formula | C36 H51 I N4 O Pd Yb |
SMILES | [Yb]123456789([n]%10[n]1c1c%11[n]([Pd](I)([n]%12c%11c%10ccc%12)(C)(C)C)ccc1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)([c]1([c]6([c]7([c]9([c]81C)C)C)C)C)[O]=C(C)C |
Title of publication | Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment. |
Authors of publication | Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 31 |
Pages of publication | 10633 - 10636 |
a | 13.4366 ± 0.0004 Å |
b | 17.8758 ± 0.0003 Å |
c | 19.6295 ± 0.0005 Å |
α | 90° |
β | 108.193 ± 0.001° |
γ | 90° |
Cell volume | 4479.12 ± 0.19 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 7 |
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 | 0.0481 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4131464.html
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Users of the data should acknowledge the original authors of the
structural data.