Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082090
Preview
Coordinates | 4082090.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H55 Cl2 N2 O2 Sc |
---|---|
Calculated formula | C39 H55 Cl2 N2 O2 Sc |
SMILES | [Sc]1([N](c2c(cccc2C(C)C)C(C)C)=C(c2ccccc2)N1c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)([O]1CCCC1)(Cl)Cl |
Title of publication | Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes |
Authors of publication | Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7312 |
a | 10.616 ± 0.006 Å |
b | 17.064 ± 0.01 Å |
c | 22.178 ± 0.013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4018 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1074 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.0739 |
Weighted residual factors for all reflections included in the refinement | 0.0816 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/4082090.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.