Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015280
Preview
Coordinates | 7015280.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H26 Cl2 Fe Zr |
---|---|
Calculated formula | C32 H26 Cl2 Fe Zr |
SMILES | [Zr]123456789(Cl)(Cl)[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@@H]1C[C@H]([c]23[Fe]4%10%11%12%13%14%15([cH]2[cH]4[cH]%10[cH]3%11)[c]21[cH]%12[cH]%13[cH]%14[c]%152[c]15[c]26[c]7(cccc2)[c]28cccc[c]912)C |
Title of publication | Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions. |
Authors of publication | Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 14 |
Pages of publication | 3724 - 3736 |
a | 11.178 ± 0.0002 Å |
b | 15.2159 ± 0.0002 Å |
c | 15.4479 ± 0.0003 Å |
α | 76.208 ± 0.001° |
β | 83.575 ± 0.001° |
γ | 78.305 ± 0.001° |
Cell volume | 2493.11 ± 0.07 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0465 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.1028 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/7015280.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.