Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084413
Preview
Coordinates | 4084413.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H28 B F4 N5 O3 Pd |
---|---|
Calculated formula | C26 H28 B F4 N5 O3 Pd |
SMILES | [N]1(=C(Nc2ccccc2OC)Nc2c([Pd]1([N]#CC)[N]#CC)cccc2OC)c1ccccc1OC.[B](F)(F)(F)[F-] |
Title of publication | Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects |
Authors of publication | Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 19 |
Pages of publication | 5554 |
a | 10.1687 ± 0.0003 Å |
b | 11.5076 ± 0.0004 Å |
c | 14.309 ± 0.0004 Å |
α | 71.743 ± 0.003° |
β | 79.641 ± 0.003° |
γ | 68.989 ± 0.004° |
Cell volume | 1480.08 ± 0.09 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.1094 |
Weighted residual factors for all reflections included in the refinement | 0.1119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4084413.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.