Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081611
Preview
Coordinates | 4081611.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H69 B N9 Y |
---|---|
Calculated formula | C53 H69 B N9 Y |
SMILES | [Y]123([n]4n([BH](n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)c(cc4C)C)([N](=C(N3c1c(cccc1C(C)C)C(C)C)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C)Nc1ccccc1 |
Title of publication | Reactivity of Scorpionate-Anchored Yttrium Alkyl Primary Amido Complexes toward Carbodiimides. Insertion Selectivity of Y‒NHAr and Y‒CH2Ph Bonds |
Authors of publication | Yi, Weiyin; Huang, Shujian; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5409 |
a | 20.03 ± 0.02 Å |
b | 12.335 ± 0.015 Å |
c | 23.16 ± 0.03 Å |
α | 90° |
β | 101.79 ± 0.019° |
γ | 90° |
Cell volume | 5601 ± 11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.136 |
Residual factor for significantly intense reflections | 0.073 |
Weighted residual factors for significantly intense reflections | 0.1514 |
Weighted residual factors for all reflections included in the refinement | 0.1684 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/4081611.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.