Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015761
Preview
Coordinates | 7015761.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H94 Ag2 Cl4 N4 O4 P6 S4 |
---|---|
Calculated formula | C88 H94 Ag2 Cl4 N4 O4 P6 S4 |
SMILES | C1(=NP(OC(C)C)(OC(C)C)=[S][Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)S1)NNC1=NP(OC(C)C)(OC(C)C)=[S][Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)S1.C(Cl)Cl.C(Cl)Cl |
Title of publication | Highly efficient [Ni{iPrHNC(S)NP(S)(OiPr)2-1,3-N,S'}2]/PR3 (R3 = Me3, Me2Ph) complexes for the generation of Ni(0) for catalysis. |
Authors of publication | Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Hahn, F. Ekkehardt |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 18 |
Pages of publication | 4806 - 4809 |
a | 16.5874 ± 0.0007 Å |
b | 12.8958 ± 0.0006 Å |
c | 21.8166 ± 0.001 Å |
α | 90° |
β | 107.913 ± 0.002° |
γ | 90° |
Cell volume | 4440.5 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0564 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.1255 |
Weighted residual factors for all reflections included in the refinement | 0.1342 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/7015761.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.