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Information card for entry 4075264
Preview
Coordinates | 4075264.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H34 I2 N6 O2 Pd |
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Calculated formula | C38 H34 I2 N6 O2 Pd |
SMILES | C1N(c2nc3c(o2)cccc3)C(=[Pd](I)(=C2N(C=CN2c2c(C)cc(C)cc2C)c2nc3c(o2)cccc3)I)N(C=1)c1c(C)cc(C)cc1C |
Title of publication | Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§ |
Authors of publication | Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 10 |
Pages of publication | 2634 |
a | 15.941 ± 0.001 Å |
b | 17.114 ± 0.001 Å |
c | 13.24 ± 0.001 Å |
α | 90 ± 0.05° |
β | 90 ± 0.05° |
γ | 90 ± 0.05° |
Cell volume | 3612.1 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1393 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.0942 |
Weighted residual factors for all reflections included in the refinement | 0.1209 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
Diffraction radiation wavelength | 0.7107 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/4075264.html
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