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Information card for entry 4325260
Preview
Coordinates | 4325260.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H26 Cu F6 N4 O6 S2 |
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Calculated formula | C22 H26 Cu F6 N4 O6 S2 |
SMILES | [Cu]123[n]4ccccc4C[N]41CCC[C@@H]4[C@@H]1[N]2(CCC1)Cc1[n]3cccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents |
Authors of publication | Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4677 - 4679 |
a | 8.8118 ± 0.0002 Å |
b | 13.4003 ± 0.0004 Å |
c | 23.2216 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2742.02 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.075 |
Residual factor for significantly intense reflections | 0.0738 |
Weighted residual factors for significantly intense reflections | 0.2018 |
Weighted residual factors for all reflections included in the refinement | 0.2036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4325260.html
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