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Information card for entry 7226014
Preview
| Coordinates | 7226014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H39 Cl3 Cu2 F12 N2 P2 |
|---|---|
| Calculated formula | C53 H39 Cl3 Cu2 F12 N2 P2 |
| Title of publication | Isolation and Characterization of Copper(III) Trifluoromethyl Complexes and Reactivity Studies of Aerobic Trifluoromethylation of Arylboronic Acids |
| Authors of publication | Zhang, Songlin; Bie, Wen-Feng |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 14.4553 ± 0.0012 Å |
| b | 19.5245 ± 0.0015 Å |
| c | 18.3344 ± 0.0015 Å |
| α | 90° |
| β | 94.601 ± 0.002° |
| γ | 90° |
| Cell volume | 5157.9 ± 0.7 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0903 |
| Residual factor for significantly intense reflections | 0.0837 |
| Weighted residual factors for significantly intense reflections | 0.2509 |
| Weighted residual factors for all reflections included in the refinement | 0.2556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184640 (current) | 2016-07-23 | cif/ Adding structures of 7226013, 7226014, 7226015 via cif-deposit CGI script. |
7226014.cif |
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Users of the data should acknowledge the original authors of the
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