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Information card for entry 1543183
Preview
| Coordinates | 1543183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H44 B20 Ni P2 |
|---|---|
| Calculated formula | C30 H44 B20 Ni P2 |
| SMILES | [Ni]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C]1345[BH]678[BH]9%101[BH]1%11%12[BH]%13%14%15[BH]%166([BH]6%17%14[BH]%14%11%13[BH]391[C]5%17%14([BH]47%166)[C]1345[BH]679[BH]%11%131[BH]1%143[BH]3%164[BH]4%17%18[BH]%196([BH]67%13[BH]7%11%14[BH]134[BH]%17%1967)[C]259%16%18)[BH]8%10%12%15 |
| 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 | 11.2679 ± 0.0014 Å |
| b | 13.3101 ± 0.0017 Å |
| c | 15.2998 ± 0.0019 Å |
| α | 100.653 ± 0.002° |
| β | 107.431 ± 0.002° |
| γ | 110.833 ± 0.002° |
| Cell volume | 1933.8 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0647 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| 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 | 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. |
1543183.cif |
| 182323 | 2016-04-28 | cif/ Adding structures of 1543183, 1543184, 1543185, 1543186, 1543187, 1543188 via cif-deposit CGI script. |
1543183.cif |
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Users of the data should acknowledge the original authors of the
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