Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7712220
Preview
Coordinates | 7712220.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ir-Pd-I3-L |
---|---|
Formula | C35 H41 I3 Ir N7 Pd |
Calculated formula | C35 H41 I3 Ir N7 Pd |
SMILES | [Ir]12345(I)([c]6([c]3([c]1([c]5([c]46C)C)C)C)C)c1cccc3c1c(c1n(n[n+](c21)CC)C)ccc3c1c([Pd](I)(I)[n]2ccccc2)n(n[n+]1C)CC |
Title of publication | A naphthalene-based heterobimetallic triazolylidene Ir<sup>III</sup>/Pd<sup>II</sup> complex: regioselective to regiospecific C-H activation, tandem catalysis and a copper-free Sonogashira reaction. |
Authors of publication | Majumder, Adhir; Naskar, Rajat; Roy, Pallabi; Mondal, Bhaskar; Garai, Somenath; Maity, Ramananda |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2023 |
Journal volume | 52 |
Journal issue | 8 |
Pages of publication | 2272 - 2281 |
a | 14.4972 ± 0.0006 Å |
b | 16.568 ± 0.0006 Å |
c | 15.779 ± 0.0006 Å |
α | 90° |
β | 92.497 ± 0.002° |
γ | 90° |
Cell volume | 3786.4 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
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 | 0.1241 |
Residual factor for significantly intense reflections | 0.101 |
Weighted residual factors for significantly intense reflections | 0.2339 |
Weighted residual factors for all reflections included in the refinement | 0.2485 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7712220.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.