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Information card for entry 4003618
Preview
| Coordinates | 4003618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H53 Au Cl4 N2 |
|---|---|
| Calculated formula | C42 H53 Au Cl4 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 | 10.5956 ± 0.0006 Å |
| b | 16.5409 ± 0.0006 Å |
| c | 12.0346 ± 0.0011 Å |
| α | 90° |
| β | 110.128 ± 0.008° |
| γ | 90° |
| Cell volume | 1980.4 ± 0.2 Å3 |
| Cell temperature | 140 ± 0.5 K |
| Ambient diffraction temperature | 140 ± 0.5 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
4003618.cif |
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Users of the data should acknowledge the original authors of the
structural data.