Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006111
Preview
Coordinates | 7006111.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H27 Cl2 N2 P Pd |
---|---|
Calculated formula | C15 H27 Cl2 N2 P Pd |
SMILES | [Pd]1(Cl)(Cl)[P](CN(c2[n]1cccc2)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Steric control over the formation of cis and trans bis-chelated palladium(II) complexes using a new series of flexible N,P pyridyl-phosphine ligands. |
Authors of publication | Clarke, Deborah A.; Miller, Philip W.; Long, Nicholas J.; White, Andrew J. P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 40 |
Pages of publication | 4556 - 4564 |
a | 8.5961 ± 0.0013 Å |
b | 13.265 ± 0.002 Å |
c | 16.3961 ± 0.0003 Å |
α | 90° |
β | 105.141 ± 0.005° |
γ | 90° |
Cell volume | 1804.7 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0228 |
Residual factor for significantly intense reflections | 0.0205 |
Weighted residual factors for significantly intense reflections | 0.0505 |
Weighted residual factors for all reflections included in the refinement | 0.0515 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
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/7006111.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.