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Information card for entry 2004049
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Coordinates | 2004049.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2,4,6-Tris(2-pyridyl)-1,3,5-triazyllithium tetraphenylborate bis(ethanol) solvate |
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Formula | C46 H44 B Li N6 O2 |
Calculated formula | C46 H44 B Li N6 O2 |
SMILES | [Li]12([OH]CC)([OH]CC)[n]3c(nc(nc3c3[n]2cccc3)c2ncccc2)c2[n]1cccc2.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | 2,4,6-Tris(2-pyridyl)-1,3,5-triazine‒Lithium Tetraphenylborate Bis(ethanol) Solvate |
Authors of publication | Schödel, H.; Van, T. T. H.; Bock, H. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 10 |
Pages of publication | 2001 - 2004 |
a | 10.253 ± 0.001 Å |
b | 13.061 ± 0.001 Å |
c | 16.593 ± 0.001 Å |
α | 112.94 ± 0.01° |
β | 99.4 ± 0.01° |
γ | 91.09 ± 0.01° |
Cell volume | 2010.5 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0851 |
Residual factor for significantly intense reflections | 0.06 |
Weighted residual factors for all reflections | 0.181 |
Weighted residual factors for significantly intense reflections | 0.1547 |
Goodness-of-fit parameter for all reflections | 1.021 |
Goodness-of-fit parameter for significantly intense reflections | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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