Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079497
Preview
Coordinates | 4079497.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H64 B2 N16 Y2 |
---|---|
Calculated formula | C54 H64 B2 N16 Y2 |
SMILES | [BH]12n3[n]([Y]45678([cH]9[cH]4[cH]5[cH]6[cH]79)(Nc4ccccc4C#[N][Y]45679%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)(Nc4ccccc4C#[N]8)[n]4n([BH](n5[n]9c(C)cc5C)n5[n]%10c(C)cc5C)c(cc4C)C)([n]4n1c(cc4C)C)[n]1n2c(cc1C)C)c(C)cc3C |
Title of publication | Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles |
Authors of publication | Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 20 |
Pages of publication | 7213 |
a | 29.875 ± 0.012 Å |
b | 13.866 ± 0.006 Å |
c | 19.761 ± 0.008 Å |
α | 90° |
β | 130.51 ± 0.004° |
γ | 90° |
Cell volume | 6224 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0599 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0853 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
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/4079497.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.