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Information card for entry 7049133
Preview
| Coordinates | 7049133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H40 Cu F6 N4 O4 P |
|---|---|
| Calculated formula | C52 H40 Cu F6 N4 O4 P |
| Title of publication | Synthesis and characterisation of homoleptic 2,9-diaryl-1,10-phenanthroline copper(i) complexes: influencing selectivity in photoredox-catalysed atom-transfer radical addition reactions. |
| Authors of publication | Nicholls, Thomas P.; Caporale, Chiara; Massi, Massimiliano; Gardiner, Michael G.; Bissember, Alex C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 21 |
| Pages of publication | 7290 - 7301 |
| a | 13.7555 ± 0.0004 Å |
| b | 14.1948 ± 0.0004 Å |
| c | 14.2099 ± 0.0006 Å |
| α | 100.095 ± 0.0018° |
| β | 118.945 ± 0.0011° |
| γ | 106.616 ± 0.0014° |
| Cell volume | 2157.7 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7049133.cif |
| 224458 | 2019-11-08 | cif/ Updating files of 7049133, 7049134, 7049135, 7049136 Original log message: Adding full bibliography for 7049133--7049136.cif. |
7049133.cif |
| 213804 | 2019-02-23 | cif/ Adding structures of 7049133, 7049134, 7049135, 7049136 via cif-deposit CGI script. |
7049133.cif |
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Users of the data should acknowledge the original authors of the
structural data.