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Information card for entry 4068001
Preview
Coordinates | 4068001.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H4 Cl Cu F5 N |
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Calculated formula | C11 H4 Cl Cu F5 N |
SMILES | [Cu](c1c(c(c(c(c1F)F)F)F)F)[n]1c(Cl)cccc1 |
Title of publication | Pentafluorophenyl Copper‒Pyridine Complexes: Synthesis, Supramolecular Structures via Cuprophilic and π-Stacking Interactions, and Solid-State Luminescence |
Authors of publication | Doshi, Ami; Sundararaman, Anand; Venkatasubbaiah, Krishnan; Zakharov, Lev N.; Rheingold, Arnold L.; Myahkostupov, Mykhaylo; Piotrowiak, Piotr; Jäkle, Frieder |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 4 |
Pages of publication | 1546 |
a | 12.5523 ± 0.0002 Å |
b | 7.1538 ± 0.0002 Å |
c | 24.891 ± 0.0005 Å |
α | 90° |
β | 98.521 ± 0.001° |
γ | 90° |
Cell volume | 2210.46 ± 0.08 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 | 0.0365 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0882 |
Weighted residual factors for all reflections included in the refinement | 0.0906 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4068001.html
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