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Information card for entry 7112764
Preview
Coordinates | 7112764.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H14 Br N O3 Pd |
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Calculated formula | C11 H14 Br N O3 Pd |
SMILES | [Pd]12([n]3c(C(=O)C2)cccc3C([O]1C)(OC)C)Br |
Title of publication | Quantitative synthesis and full characterization of the first isolated and stable pincer palladium(IV) complexes. Quantitative and regioselective synthesis of the C-X (X = Cl, Br) reductive elimination products. |
Authors of publication | Vicente, José; Arcas, Aurelia; Juliá-Hernández, Francisco; Bautista, Delia |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 38 |
Pages of publication | 7253 - 7255 |
a | 9.6687 ± 0.0007 Å |
b | 9.9942 ± 0.0007 Å |
c | 13.8064 ± 0.0011 Å |
α | 90° |
β | 107.748 ± 0.002° |
γ | 90° |
Cell volume | 1270.63 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0204 |
Residual factor for significantly intense reflections | 0.019 |
Weighted residual factors for significantly intense reflections | 0.0454 |
Weighted residual factors for all reflections included in the refinement | 0.0459 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180241 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27. |
7112764.cif |
112079 | 2014-04-29 | cif/ Adding structures of 7112764, 7112765, 7112766 via cif-deposit CGI script. |
7112764.cif |
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Users of the data should acknowledge the original authors of the
structural data.