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Information card for entry 7004003
Preview
Coordinates | 7004003.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H14 Cl2 N2 O2 Pd |
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Calculated formula | C8 H14 Cl2 N2 O2 Pd |
Title of publication | Pre-catalyst resting states: a kinetic, thermodynamic and quantum mechanical analyses of [PdCl2(2-oxazoline)2] complexes |
Authors of publication | Gossage, Robert A.; Jenkins, Hilary A.; Jones, Nathan D.; Jones, Roderick C.; Yates, Brian F. |
Journal of publication | Dalton Transactions |
Year of publication | 2008 |
Journal issue | 23 |
Pages of publication | 3115 - 3122 |
a | 7.5416 ± 0.0008 Å |
b | 8.4479 ± 0.0009 Å |
c | 9.6688 ± 0.001 Å |
α | 84.997 ± 0.002° |
β | 81.775 ± 0.002° |
γ | 85.269 ± 0.002° |
Cell volume | 605.81 ± 0.11 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0306 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0798 |
Weighted residual factors for all reflections included in the refinement | 0.0813 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
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/7004003.html
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Users of the data should acknowledge the original authors of the
structural data.