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Information card for entry 7117743
Preview
Coordinates | 7117743.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H31 B11 Cl11 F O2 P2 Pd |
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Calculated formula | C19 H31 B11 Cl11 F O2 P2 Pd |
SMILES | [CH]1234[B]567(Cl)[B]891(Cl)[B]1%102(Cl)[B]2%113(Cl)[B]345(Cl)[B]452(Cl)[B]263([Cl][Pd]36c%12c(O[P]3(C(C)C)C(C)C)cc(F)cc%12O[P]6(C(C)C)C(C)C)[B]379([B]68%10([B]1%114(Cl)[B]5236Cl)Cl)Cl |
Title of publication | Triflyloxy-substituted carboranes as useful weakly coordinating anions |
Authors of publication | Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 14034 |
a | 9.1582 ± 0.001 Å |
b | 12.0726 ± 0.0013 Å |
c | 20.864 ± 0.002 Å |
α | 76.534 ± 0.001° |
β | 88.597 ± 0.001° |
γ | 78.715 ± 0.001° |
Cell volume | 2199.5 ± 0.4 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0345 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections included in the refinement | 0.0669 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7117743.html
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Users of the data should acknowledge the original authors of the
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