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Information card for entry 4119849
Preview
Coordinates | 4119849.cif |
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Original paper (by DOI) | HTML |
Formula | C52 H44 Cl2 O3 Pd2 |
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Calculated formula | C52 H44 Cl2 O3 Pd2 |
Title of publication | The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes |
Authors of publication | Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 8388 - 8399 |
a | 12.2214 ± 0.0004 Å |
b | 12.8052 ± 0.0003 Å |
c | 15.0153 ± 0.0003 Å |
α | 114.651 ± 0.002° |
β | 96.795 ± 0.002° |
γ | 95.356 ± 0.002° |
Cell volume | 2094.03 ± 0.1 Å3 |
Cell temperature | 110 ± 0.1 K |
Ambient diffraction temperature | 110 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0531 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.0907 |
Weighted residual factors for all reflections included in the refinement | 0.1009 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119849.html
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