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Information card for entry 4087105
Preview
Coordinates | 4087105.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Pd3(u-CO)3(CNArDipp2)3 |
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Formula | C100 H121 N3 O4 Pd3 |
Calculated formula | C100 H121 N3 O4 Pd3 |
SMILES | c1([N]#C[Pd]234[Pd]5(C#[N]c6c(c7c(cccc7C(C)C)C(C)C)cccc6c6c(C(C)C)cccc6C(C)C)([Pd]2(C#[N]c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)(C4=O)C5=O)C3=O)c(cccc1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C.C(C)OCC |
Title of publication | Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates |
Authors of publication | Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 4 |
Pages of publication | 944 |
a | 15.618 ± 0.008 Å |
b | 16.161 ± 0.008 Å |
c | 20.549 ± 0.01 Å |
α | 80.016 ± 0.007° |
β | 84.921 ± 0.007° |
γ | 65.649 ± 0.006° |
Cell volume | 4653 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1227 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0881 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.754 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4087105.html
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Users of the data should acknowledge the original authors of the
structural data.