Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4060672
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4060672.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H27 B Zr |
---|---|
Calculated formula | C18 H27 B Zr |
SMILES | [ZrH]123456789([cH]%11[cH]1[cH]2[cH]3[cH]4%11)([cH]1[cH]5[cH]6[cH]7[cH]81)[H][B]1([H]9)C2CCCC1CCC2 |
Title of publication | Cyclic Organohydroborate Complexes of Metallocenes. VII. Synthesis, Structure, and Fluxional Behavior of Cp2ZrX{(μ-H)2BC8H14} (X =H, D, Cl) |
Authors of publication | Xuenian Chen; Shengming Liu; Christine. E. Plečnik; Fu-Chen Liu; Gideon Fraenkel; Sheldon G. Shore |
Journal of publication | Organometallics |
Year of publication | 2003 |
Journal volume | 22 |
Pages of publication | 275 - 283 |
a | 11.9608 ± 0.001 Å |
b | 10.2533 ± 0.001 Å |
c | 13.9041 ± 0.001 Å |
α | 90° |
β | 102.792 ± 0.01° |
γ | 90° |
Cell volume | 1662.8 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0309 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for significantly intense reflections | 0.0631 |
Weighted residual factors for all reflections included in the refinement | 0.0653 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
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/4060672.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.