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Information card for entry 4003616
Preview
| Coordinates | 4003616.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H51 Cl2 Cu N2 |
|---|---|
| Calculated formula | C41 H51 Cl2 Cu N2 |
| Title of publication | Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance? |
| Authors of publication | Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 18.4735 ± 0.0004 Å |
| b | 10.151 ± 0.0002 Å |
| c | 19.3448 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3627.62 ± 0.13 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.073 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.1368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254123 (current) | 2020-07-09 | cif/ Adding structures of 4003615, 4003616, 4003617, 4003618, 4003619, 4003620, 4003621, 4003622 via cif-deposit CGI script. |
4003616.cif |
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Users of the data should acknowledge the original authors of the
structural data.