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Information card for entry 7027410
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Coordinates | 7027410.cif |
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Original paper (by DOI) | HTML |
Chemical name | [hydrotris(3,5-dimethylpyrazol-1-yl)boratothallium(I)] |
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Formula | C15 H22 B N6 Tl |
Calculated formula | C15 H22 B N6 Tl |
SMILES | [Tl]12[n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C |
Title of publication | A new route to tris(pyrazolyl)borate ligands and new structural variations in TlTp complexes † |
Authors of publication | Janiak, Christoph; Braun, Lothar; Girgsdies, Frank |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 17 |
Pages of publication | 3133 |
a | 30.6275 ± 0.0005 Å |
b | 8.6168 ± 0.0001 Å |
c | 15.6585 ± 0.0002 Å |
α | 90° |
β | 119.812 ± 0.001° |
γ | 90° |
Cell volume | 3585.57 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.079 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.0948 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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