Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4326931
Preview
Coordinates | 4326931.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H48 B N8 Y |
---|---|
Calculated formula | C34 H48 B N8 Y |
SMILES | [Y]1234567([N](=C(N1C(C)C)Cc1ccccc1)C(C)C)([n]1n([BH](n8[n]2c(cc8C)C)n2[n]3c(cc2C)C)c(C)cc1C)[cH]1[cH]5[cH]6[cH]7[cH]41 |
Title of publication | Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands |
Authors of publication | Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 11813 - 11824 |
a | 12.421 ± 0.004 Å |
b | 13.034 ± 0.004 Å |
c | 13.222 ± 0.004 Å |
α | 83.886 ± 0.004° |
β | 75.816 ± 0.004° |
γ | 64.566 ± 0.003° |
Cell volume | 1874.2 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0853 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.1433 |
Weighted residual factors for all reflections included in the refinement | 0.1538 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
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/4326931.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.