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Information card for entry 4349472
Preview
| Coordinates | 4349472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H48 B2 Cu2 F8 N8 O3 |
|---|---|
| Calculated formula | C53 H48 B2 Cu2 F8 N8 O3 |
| 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 | 7.56 ± 0.0006 Å |
| b | 20.2225 ± 0.0016 Å |
| c | 16.4909 ± 0.0012 Å |
| α | 90° |
| β | 94.726 ± 0.005° |
| γ | 90° |
| Cell volume | 2512.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.111 |
| Residual factor for significantly intense reflections | 0.078 |
| Weighted residual factors for significantly intense reflections | 0.155 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.325 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4349472.cif |
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Users of the data should acknowledge the original authors of the
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