Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4323431
Preview
Coordinates | 4323431.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H51 Ag2 N4 P3 |
---|---|
Calculated formula | C60 H51 Ag2 N4 P3 |
SMILES | [Ag]1([n]2n(ccc2)[Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2n1ccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Silver(I) Pyrazolates. Synthesis and X-ray and 31P-NMR Characterization of Triphenylphosphine Complexes and Their Reactivity toward Heterocumulenes |
Authors of publication | G. Attilio Ardizzoia; Girolamo La Monica; Angelo Maspero; Massimo Moret; Norberto Masciocchi |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 2321 - 2328 |
a | 9.752 ± 0.002 Å |
b | 14.163 ± 0.002 Å |
c | 20.45 ± 0.002 Å |
α | 101.84 ± 0.01° |
β | 99.83 ± 0.02° |
γ | 100.68 ± 0.02° |
Cell volume | 2651.8 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0468 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for all reflections | 0.0674 |
Weighted residual factors for significantly intense reflections | 0.0645 |
Goodness-of-fit parameter for all reflections | 0.957 |
Goodness-of-fit parameter for significantly intense reflections | 1.058 |
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/4323431.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.