Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514972
Preview
Coordinates | 4514972.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H22 N2 O4 Pt |
---|---|
Calculated formula | C14 H22 N2 O4 Pt |
SMILES | [Pt]1(O)([n]2ccccc2C[NH]1c1cc(O)ccc1)(C)(O)C.O |
Title of publication | Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality. |
Authors of publication | Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J. |
Journal of publication | ACS omega |
Year of publication | 2019 |
Journal volume | 4 |
Journal issue | 1 |
Pages of publication | 257 - 268 |
a | 8.1553 ± 0.0018 Å |
b | 9.9572 ± 0.0015 Å |
c | 11.011 ± 0.002 Å |
α | 112.204 ± 0.006° |
β | 107.551 ± 0.008° |
γ | 96.626 ± 0.006° |
Cell volume | 762.2 ± 0.3 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 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 | 0.026 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for significantly intense reflections | 0.0851 |
Weighted residual factors for all reflections included in the refinement | 0.0863 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.821 |
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/4514972.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.