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Information card for entry 7003795
Preview
Coordinates | 7003795.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H7 B Br2 F10 N2 |
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Calculated formula | C17 H7 B Br2 F10 N2 |
SMILES | [B]1(N(c2c(c(c(c(c2F)F)F)F)F)C(=CC(C)=[N]1c1c(c(c(c(c1F)F)F)F)F)C)(Br)Br |
Title of publication | Synthesis and structures of boron dihalides supported by the C6F5-substituted β-diketiminate ligand [HC(CMe)2(NC6F5)2]− |
Authors of publication | Vidovic, Dragoslav; Reeske, Gregor; Findlater, Michael; Cowley, Alan H. |
Journal of publication | Dalton Transactions |
Year of publication | 2008 |
Journal issue | 17 |
Pages of publication | 2293 - 2297 |
a | 7.457 ± 0.005 Å |
b | 11.566 ± 0.005 Å |
c | 22.002 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1897.6 ± 1.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b n a |
Hall space group symbol | -P 2ac 2b |
Residual factor for all reflections | 0.0826 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for significantly intense reflections | 0.099 |
Weighted residual factors for all reflections included in the refinement | 0.1068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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