Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4313243
Preview
Coordinates | 4313243.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H22 B2 Zr |
---|---|
Calculated formula | C12 H22 B2 Zr |
SMILES | [Zr]123456789%10([H][BH]([H]9)C)([H][BH]([H]%10)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Syntheses and Structures of Metallocene Methyltrihydroborate Derivativies: Cp2ZrCl{(μ-H)2BHCH3}, Cp2Zr{(μ-H)2BHCH3}2, and Cp2Ti{(μ-H)2BHCH3} |
Authors of publication | Fu-Chen Liu; Ko-Yu Chen; Jung-Hua Chen; Gene-Hsian Lee; Shie-Ming Peng |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1758 - 1763 |
a | 15.2949 ± 0.0004 Å |
b | 9.3417 ± 0.0002 Å |
c | 9.3211 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1331.8 ± 0.05 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0687 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1142 |
Weighted residual factors for all reflections included in the refinement | 0.1194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
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/4313243.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.