Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4063701
Preview
Coordinates | 4063701.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(CF3PCP)Ir(H)(CO)]2(u-Cl)+SbF6- |
---|---|
Formula | C26 H16 Cl F30 Ir2 O2 P4 Sb |
Calculated formula | C26 H16 Cl F30 Ir2 O2 P4 Sb |
SMILES | c12c3cccc1C[P](C(F)(F)F)(C(F)(F)F)[IrH]2([P](C3)(C(F)(F)F)C(F)(F)F)(C#[O])[Cl][IrH]12(c3c(cccc3C[P]2(C(F)(F)F)C(F)(F)F)C[P]1(C(F)(F)F)C(F)(F)F)C#[O].F[Sb](F)(F)(F)(F)[F-] |
Title of publication | Acceptor PCP Pincer Iridium Chemistry: (CF3PCP)IrIIICoordination Properties |
Authors of publication | Adams, Jeramie J.; Lau, Ade; Arulsamy, Navamoney; Roddick, Dean M. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 4 |
Pages of publication | 689 |
a | 14.2083 ± 0.0005 Å |
b | 15.4906 ± 0.0006 Å |
c | 18.3401 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4036.6 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0594 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.057 |
Weighted residual factors for all reflections included in the refinement | 0.0652 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4063701.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.