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Information card for entry 7050645
Preview
Coordinates | 7050645.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H19 B N9 Tl |
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Calculated formula | C24 H19 B N9 Tl |
SMILES | [BH]12[n]3[n]([Tl]([n]4[n]1ccc4c1ccncc1)[n]1[n]2ccc1c1ccncc1)c(cc3)c1ccncc1 |
Title of publication | Chiral coordination polymers based on thallium(i) complexes of new bis- and tris(pyrazolyl)borate ligands with externally-directed 4-pyridyl groups |
Authors of publication | Davies, Graham M.; Jeffery, John C.; Ward, Michael D. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2003 |
Journal volume | 27 |
Journal issue | 11 |
Pages of publication | 1550 |
a | 8.7477 ± 0.0009 Å |
b | 16.5928 ± 0.0017 Å |
c | 8.3841 ± 0.0009 Å |
α | 90° |
β | 96.281 ± 0.002° |
γ | 90° |
Cell volume | 1209.6 ± 0.2 Å3 |
Cell temperature | 446 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0503 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0622 |
Weighted residual factors for all reflections included in the refinement | 0.0838 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.764 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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