Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7023788
Preview
Coordinates | 7023788.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H72 B F10 O2 P Zr |
---|---|
Calculated formula | C60 H72 B F10 O2 P Zr |
SMILES | [Zr]12345678(OC(=O)[P+](CC[B](C)(c9c(F)c(F)c(F)c(F)c9F)c9c(F)c(F)c(F)c(F)c9F)(c9c(cc(cc9C)C)C)c9c(cc(cc9C)C)C)(C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.C1CCCC1 |
Title of publication | Reactions of dimethylzirconocene complexes with a vicinal frustrated P/B Lewis pair. |
Authors of publication | Frömel, Silke; Kehr, Gerald; Fröhlich, Roland; Daniliuc, Constantin G.; Erker, Gerhard |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 40 |
Pages of publication | 14531 - 14536 |
a | 9.0108 ± 0.0001 Å |
b | 25.1301 ± 0.0004 Å |
c | 24.9895 ± 0.0004 Å |
α | 90° |
β | 92.229 ± 0.001° |
γ | 90° |
Cell volume | 5654.4 ± 0.14 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.064 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1394 |
Weighted residual factors for all reflections included in the refinement | 0.1493 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/7023788.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.