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Information card for entry 4349469
Preview
| Coordinates | 4349469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H74 Cu3 F12 N12 O5 P2 |
|---|---|
| Calculated formula | C79 H72 Cu3 F12 N12 O3 P2 |
| Title of publication | On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry |
| Authors of publication | Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 7 |
| Pages of publication | 919 |
| a | 13.8259 ± 0.001 Å |
| b | 13.8259 ± 0.001 Å |
| c | 68.225 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11294 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.091 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234800 (current) | 2019-11-23 | cif/ Adding structures of 4349469, 4349470, 4349471, 4349472 via cif-deposit CGI script. |
4349469.cif |
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Users of the data should acknowledge the original authors of the
structural data.