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Information card for entry 1543188
Preview
Coordinates | 1543188.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H38 B20 |
---|---|
Calculated formula | C12 H38 B20 |
SMILES | [C]1234([CH]567[BH]89%10[B]%11%12%13(CC)[B]%14%15%16(CC)[BH]%17%18%11[BH]59%13[BH]16%17[BH]2%15%18[BH]13%16[BH]8%12%14[BH]47%101)[C]1234[CH]567[BH]89%10[B]%11%12%13(CC)[B]%14%15%16(CC)[BH]%17%18%11[BH]59%13[BH]16%17[BH]2%15%18[BH]13%16[BH]8%12%14[BH]47%101 |
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 | 7.2892 ± 0.0004 Å |
b | 17.2701 ± 0.0011 Å |
c | 9.625 ± 0.0006 Å |
α | 90° |
β | 97.582 ± 0.004° |
γ | 90° |
Cell volume | 1201.05 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0537 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1463 |
Weighted residual factors for all reflections included in the refinement | 0.1489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1543188.html
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Users of the data should acknowledge the original authors of the
structural data.