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Information card for entry 1543184
Preview
| Coordinates | 1543184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H68 B20 P2 Pd |
|---|---|
| Calculated formula | C54 H68 B20 P2 Pd |
| SMILES | [Pd]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C]1345[BH]678[BH]9%101[BH]1%113[BH]3%124[BH]4%13%14[BH]%156([BH]679[BH]7%101[BH]%1134[BH]%13%1567)[C]58%12%14[C]1345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%151([BH]1%163[BH]3%12%15[BH]%129%13[BH]96%10[BH]471[BH]%163%129)[C]258%11%14.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Luminescent metal complexes featuring photophysically innocent boron cluster ligands |
| Authors of publication | Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 8 |
| Pages of publication | 5132 |
| a | 21.7659 ± 0.0017 Å |
| b | 10.9289 ± 0.0009 Å |
| c | 25.019 ± 0.002 Å |
| α | 90° |
| β | 96.4644 ± 0.001° |
| γ | 90° |
| Cell volume | 5913.6 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0337 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185151 (current) | 2016-08-07 | cif/ Updating files of 1543183, 1543184, 1543185, 1543186, 1543187, 1543188 Original log message: Adding full bibliography for 1543183--1543188.cif. |
1543184.cif |
| 182323 | 2016-04-28 | cif/ Adding structures of 1543183, 1543184, 1543185, 1543186, 1543187, 1543188 via cif-deposit CGI script. |
1543184.cif |
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Users of the data should acknowledge the original authors of the
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