Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7038741
Preview
Coordinates | 7038741.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C92 H114 Cl8 F12 Ir4 N6 O20 S4 |
---|---|
Calculated formula | C86 H94 Cl4 F12 Ir4 N6 O16 S4 |
SMILES | c1cccc2C=C3C4=[O][Ir]5678(O4)([c]4([c]5([c]6([c]8([c]74C)C)C)C)C)[n]4ccc(C=Cc5cc[n](cc5)[Ir]56789(C(=Cc%10cccc[n]5%10)C5=[O][Ir]%10%11%12%13([n]%14ccc(C=Cc%15cc[n](cc%15)[Ir]%15%16%17%183([n]12)[c]1([c]%15([c]%16([c]%17([c]%181C)C)C)C)C)cc%14)(O5)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)cc4.FC(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)F.C(Cl)Cl.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].C(Cl)Cl |
Title of publication | Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation. |
Authors of publication | Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 16 |
Pages of publication | 7014 - 7021 |
a | 20.973 ± 0.003 Å |
b | 15.042 ± 0.002 Å |
c | 36.067 ± 0.005 Å |
α | 90° |
β | 101.963 ± 0.002° |
γ | 90° |
Cell volume | 11131 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1009 |
Residual factor for significantly intense reflections | 0.0828 |
Weighted residual factors for significantly intense reflections | 0.1945 |
Weighted residual factors for all reflections included in the refinement | 0.2021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71073 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/7038741.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.