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Information card for entry 1543185
Preview
| Coordinates | 1543185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H44 B20 P2 Pt |
|---|---|
| Calculated formula | C30 H44 B20 P2 Pt |
| SMILES | [Pt]12([C]3456[BH]789[BH]%10%11%12[BH]%13%14%15[BH]%163([BH]3%174[BH]4%13%16[BH]%13%10%14[BH]%107%11[BH]583[BH]%174%13%10)[C]69%12%15[C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[BH]5%14%15[BH]%167([BH]78%10[BH]8%113[BH]%1245[BH]%14%1678)[C]269%13%15)[P](CC[P]1(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 | 11.2436 ± 0.0008 Å |
| b | 13.3586 ± 0.001 Å |
| c | 15.2381 ± 0.0011 Å |
| α | 102.533 ± 0.001° |
| β | 106.157 ± 0.001° |
| γ | 111.37 ± 0.001° |
| Cell volume | 1913.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.0235 |
| Weighted residual factors for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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. |
1543185.cif |
| 182323 | 2016-04-28 | cif/ Adding structures of 1543183, 1543184, 1543185, 1543186, 1543187, 1543188 via cif-deposit CGI script. |
1543185.cif |
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Users of the data should acknowledge the original authors of the
structural data.