Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7011727.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.