Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7011673
Preview
Coordinates | 7011673.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H42 F6 N4 O3 P Rh |
---|---|
Calculated formula | C26 H42 F6 N4 O3 P Rh |
SMILES | [Rh]1234567[N]8(CCCC#CC)CC[N]91CCC[C]14[C]3(=O)[C]7(=[C]6(CCC[N]2(CC9)CC8)[C]5=1C)C.[P](F)(F)(F)(F)(F)[F-].CN(=O)=O |
Title of publication | Formation of a caged rhodium complex via an intramolecular, metal-mediated [2 + 2 + 1] cycloaddition of alkynes and CO |
Authors of publication | Baker, Murray V.; Brown, David H.; Skelton, Brian W.; White, Allan H. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 13 |
Pages of publication | 2595 |
a | 10.379 ± 0.001 Å |
b | 10.692 ± 0.001 Å |
c | 15.714 ± 0.002 Å |
α | 104.826 ± 0.002° |
β | 92.569 ± 0.002° |
γ | 118.094 ± 0.002° |
Cell volume | 1458.9 ± 0.3 Å3 |
Cell temperature | 153 K |
Ambient diffraction temperature | 153 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for all reflections | 0.047 |
Weighted residual factors for all reflections included in the refinement | 0.045 |
Goodness-of-fit parameter for all reflections | 1.215 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.259 |
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/7011673.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.