Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7000803
Preview
Coordinates | 7000803.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H42 Br4 Cl6 N6 Pd2 |
---|---|
Calculated formula | C28 H42 Br4 Cl6 N6 Pd2 |
SMILES | C1(N(c2ccccc2N1C(C)C)C(C)C)=[Pd]([NH2][NH2][Pd](=C1N(c2ccccc2N1C(C)C)C(C)C)(Br)Br)(Br)Br.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Mixed carbene‒isocyanide Pd(ii) complexes: synthesis, structures and reactivity towards nucleophiles |
Authors of publication | Han, Yuan; Huynh, Han Vinh |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 12 |
Pages of publication | 2201 - 2209 |
a | 18.1241 ± 0.0009 Å |
b | 26.0307 ± 0.0012 Å |
c | 9.1762 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4329.2 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0792 |
Residual factor for significantly intense reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.1614 |
Weighted residual factors for all reflections included in the refinement | 0.1682 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/7000803.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.