Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082130
Preview
Coordinates | 4082130.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H59 Cl5 F6 Ir N6 P |
---|---|
Calculated formula | C42 H59 Cl5 F6 Ir N6 P |
SMILES | [Ir]12345(Cl)([c]6([c]3([c]1([c]2(C)[c]56C)C)C)C)c1n(n[n+](C)c1c1[n+](nn(c41)c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl |
Title of publication | Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene |
Authors of publication | Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7376 |
a | 8.0389 ± 0.0016 Å |
b | 23.634 ± 0.005 Å |
c | 24.95 ± 0.005 Å |
α | 90° |
β | 90.97 ± 0.03° |
γ | 90° |
Cell volume | 4739.6 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0574 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1127 |
Weighted residual factors for all reflections included in the refinement | 0.1196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
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/4082130.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.