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Information card for entry 4515792
Preview
| Coordinates | 4515792.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | shs302m |
|---|---|
| Formula | C60 H42 Br2 Cu F12 N6 O8 Sb2 |
| Calculated formula | C60 H42 Br2 Cu F12 N6 O8 Sb2 |
| Title of publication | Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers |
| Authors of publication | Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 11277 |
| a | 11.7665 ± 0.0011 Å |
| b | 26.084 ± 0.003 Å |
| c | 21.832 ± 0.0018 Å |
| α | 90° |
| β | 92.097 ± 0.003° |
| γ | 90° |
| Cell volume | 6696.1 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.2371 |
| Residual factor for significantly intense reflections | 0.1755 |
| Weighted residual factors for significantly intense reflections | 0.4966 |
| Weighted residual factors for all reflections included in the refinement | 0.5348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225908 (current) | 2019-11-10 | cif/ Adding structures of 4515792 via cif-deposit CGI script. |
4515792.cif |
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Users of the data should acknowledge the original authors of the
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