Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547495
Preview
| Coordinates | 1547495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H48 Cl2 N2 Ni |
|---|---|
| Calculated formula | C56 H48 Cl2 N2 Ni |
| SMILES | [Ni]1(Cl)(Cl)[N](=C2C(=[N]1c1c(C(c3ccccc3)c3ccccc3)cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)c1c3c2cccc3ccc1)c1c(cccc1C)C |
| Title of publication | Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst |
| Authors of publication | Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua |
| Journal of publication | Polym. Chem. |
| Year of publication | 2017 |
| a | 29.579 ± 0.004 Å |
| b | 29.579 ± 0.004 Å |
| c | 32.113 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 24332 ± 7 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1011 |
| Residual factor for significantly intense reflections | 0.0868 |
| Weighted residual factors for significantly intense reflections | 0.2477 |
| Weighted residual factors for all reflections included in the refinement | 0.2621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201549 (current) | 2017-09-30 | cif/ Adding structures of 1547494, 1547495, 1547496 via cif-deposit CGI script. |
1547495.cif |
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.