Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7029582
Preview
Coordinates | 7029582.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 N10 |
---|---|
Calculated formula | C20 H20 N10 |
SMILES | c1c(cccc1Cn1cc(Cn2cccn2)nn1)Cn1cc(Cn2cccn2)nn1 |
Title of publication | Bi- and tri-metallic Rh and Ir complexes containing click derived bis- and tris-(pyrazolyl-1,2,3-triazolyl) N-N' donor ligands and their application as catalysts for the dihydroalkoxylation of alkynes. |
Authors of publication | Vuong, Khuong Q.; Wong, Chin M.; Bhadbhade, Mohan; Messerle, Barbara A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 20 |
Pages of publication | 7540 - 7553 |
a | 10.14 ± 0.002 Å |
b | 41.977 ± 0.008 Å |
c | 4.497 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1914.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0772 |
Residual factor for significantly intense reflections | 0.0756 |
Weighted residual factors for significantly intense reflections | 0.1784 |
Weighted residual factors for all reflections included in the refinement | 0.1792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.205 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Synchrotron |
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/7029582.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.