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Information card for entry 7011732
Preview
Coordinates | 7011732.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H40 B Cl2 Co F3 N8 O3 S |
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Calculated formula | C42 H40 B Cl2 Co F3 N8 O3 S |
SMILES | [Co]12([n]3n(c(cc3c3ccccc3)C)[BH](n3[n]1c(cc3C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)([n]1ccccc1)[n]1ccccc1.ClCCl.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Highly labile cationic tris-acetonitrile complexes, [TpRM(NCMe)3]OTf (M = Ni, Co; TpR: hydrotrispyrazolylborato, R = Ph, Me and iPr2): versatile precursors for TpR-containing nickel and cobalt complexes |
Authors of publication | Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 18 |
Pages of publication | 3529 |
a | 15.885 ± 0.004 Å |
b | 11.739 ± 0.003 Å |
c | 23.875 ± 0.005 Å |
α | 90° |
β | 94.49 ± 0.02° |
γ | 90° |
Cell volume | 4438.4 ± 1.8 Å3 |
Cell temperature | 296.2 K |
Number of distinct elements | 9 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0853 |
Weighted residual factors for all reflections included in the refinement | 0.279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.804 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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