Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7049134
Preview
| Coordinates | 7049134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H31 Cu F18 N5 P |
|---|---|
| Calculated formula | C54 H31 Cu F18 N5 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 | 15.3534 ± 0.0007 Å |
| b | 25.1829 ± 0.0012 Å |
| c | 13.9516 ± 0.0007 Å |
| α | 90° |
| β | 116.879 ± 0.001° |
| γ | 90° |
| Cell volume | 4811.5 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| 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. |
7049134.cif |
| 224458 | 2019-11-08 | cif/ Updating files of 7049133, 7049134, 7049135, 7049136 Original log message: Adding full bibliography for 7049133--7049136.cif. |
7049134.cif |
| 213804 | 2019-02-23 | cif/ Adding structures of 7049133, 7049134, 7049135, 7049136 via cif-deposit CGI script. |
7049134.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.