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Information card for entry 4089639
Preview
Coordinates | 4089639.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H17 Br N2 O Pd |
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Calculated formula | C15 H17 Br N2 O Pd |
SMILES | [Pd]1(Br)([N](O)=C(Cc2c1cccc2)C)[n]1ccc(cc1)C |
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 | 18.3 ± 0.007 Å |
b | 15.977 ± 0.006 Å |
c | 20.88 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6105 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0568 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0888 |
Weighted residual factors for all reflections included in the refinement | 0.0992 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4089639.html
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