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Information card for entry 7027891
Preview
Coordinates | 7027891.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H20 B N8 Tl |
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Calculated formula | C26 H20 B N8 Tl |
SMILES | [Tl]1[n]2n(ccc2c2nc(c3ncccc3)ccc2)[BH2]n2[n]1c(c1nc(c3ncccc3)ccc1)cc2 |
Title of publication | Complexes of the potentially hexadentate ligand bis{3-[6-(2,2′-bipyridyl)]pyrazol-1-yl}hydroborate with representative s-, p-, d- and f-block metal ions: factors promoting formation of mononuclear or double-helical dinuclear complexes |
Authors of publication | Fleming, James S.; Psillakis, Elefteria; Couchman, Samantha M.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 4 |
Pages of publication | 537 |
a | 16.608 ± 0.004 Å |
b | 17.775 ± 0.004 Å |
c | 15.91 ± 0.004 Å |
α | 90° |
β | 90.533 ± 0.005° |
γ | 90° |
Cell volume | 4696.5 ± 1.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0442 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for all reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.048 |
Goodness-of-fit parameter for all reflections | 0.958 |
Goodness-of-fit parameter for significantly intense reflections | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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