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Information card for entry 4089642
Preview
Coordinates | 4089642.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H23 Br N2 O5 Pd |
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Calculated formula | C21 H23 Br N2 O5 Pd |
SMILES | [Pd]1(/C(=C(\c2c(cccc2)CC(=[N]1O)C)C(=O)OC)C(=O)OC)([n]1ccc(cc1)C)Br |
Title of publication | Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series |
Authors of publication | Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7612 |
a | 9.697 ± 0.003 Å |
b | 9.8 ± 0.003 Å |
c | 11.411 ± 0.003 Å |
α | 93.134 ± 0.004° |
β | 91.125 ± 0.004° |
γ | 99.336 ± 0.004° |
Cell volume | 1068 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0337 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0741 |
Weighted residual factors for all reflections included in the refinement | 0.0767 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 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/4089642.html
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