Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081473
Preview
Coordinates | 4081473.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H13 I2 N5 O9 |
---|---|
Calculated formula | C25 H13 I2 N5 O9 |
SMILES | c1(c(cc(cc1/C=N/c1c(cccc1c1cc(cc(c1)N(=O)=O)N(=O)=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)I)I)O |
Title of publication | Role of Electron-Withdrawing Remote Substituents in Neutral Nickel(II) Polymerization Catalysts |
Authors of publication | Osichow, Anna; Göttker-Schnetmann, Inigo; Mecking, Stefan |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 18 |
Pages of publication | 5239 |
a | 11.0497 ± 0.0013 Å |
b | 11.5321 ± 0.0013 Å |
c | 11.9882 ± 0.0016 Å |
α | 74.766 ± 0.01° |
β | 77.741 ± 0.01° |
γ | 63.918 ± 0.009° |
Cell volume | 1315.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0493 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0764 |
Weighted residual factors for all reflections included in the refinement | 0.0803 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4081473.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.