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Information card for entry 7102342
Preview
Coordinates | 7102342.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H18 Br2 N2 Pd |
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Calculated formula | C20 H18 Br2 N2 Pd |
SMILES | [Pd]1(Br)(Br)[n]2ccccc2C[N]21[C@H]([C@@H]2c1ccccc1)c1ccccc1.[Pd]1(Br)(Br)[n]2ccccc2C[N]21[C@@H]([C@H]2c1ccccc1)c1ccccc1 |
Title of publication | Umbrella motion in aziridines: use of simple chemical inputs to reversibly control the rate of pyramidal inversion. |
Authors of publication | Davies, Mark W; Clarke, Adam J; Clarkson, Guy J; Shipman, Michael; Tucker, James H R |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 47 |
Pages of publication | 5078 - 5080 |
a | 14.0049 ± 0.0014 Å |
b | 14.1051 ± 0.0014 Å |
c | 20.955 ± 0.002 Å |
α | 76.598 ± 0.002° |
β | 88.601 ± 0.002° |
γ | 89.842 ± 0.002° |
Cell volume | 4025.6 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 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 | 0.1402 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.1505 |
Weighted residual factors for all reflections included in the refinement | 0.1788 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/7102342.html
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