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Information card for entry 7011727
Preview
| Coordinates | 7011727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H84 B2 Cl4 Co2 F6 N18 O6 S2 |
|---|---|
| Calculated formula | C86 H80 B2 Co2 F6 N18 O6 S2 |
| SMILES | FC(F)(F)S(=O)(=O)[O-].c1(cc(C)n2[n]1[Co]1([n]3c(c4ccccc4)cc(C)n3[BH]2n2c(cc(c3ccccc3)[n]12)C)([n]1c(cc([nH]1)c1ccccc1)C)[N]#CCCC#[N][Co]12([n]3c(cc(C)n3[BH](n3c(cc([n]13)c1ccccc1)C)n1c(cc([n]21)c1ccccc1)C)c1ccccc1)[n]1c(cc([nH]1)c1ccccc1)C)c1ccccc1.FC(F)(F)S(=O)(=O)[O-] |
| 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 | 14.567 ± 0.002 Å |
| b | 14.869 ± 0.002 Å |
| c | 12.118 ± 0.001 Å |
| α | 107.849 ± 0.007° |
| β | 91.345 ± 0.004° |
| γ | 112.99 ± 0.005° |
| Cell volume | 2269 ± 0.5 Å3 |
| Cell temperature | 213.2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.1816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7011727.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011727.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011727.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011727.cif |
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