Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4109323
Preview
Coordinates | 4109323.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H40 F6 N2 Th |
---|---|
Calculated formula | C36 H40 F6 N2 Th |
SMILES | [c]12([c]3([c]4([c]5([c]1([Th]16782345(N=C(C)c2cc(F)c(F)c(F)c2)([c]2([c]6([c]8([c]7([c]12C)C)C)C)C)N=C(C)c1cc(F)c(F)c(F)c1)C)C)C)C)C |
Title of publication | Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides |
Authors of publication | Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 5139 - 5152 |
a | 13.087 ± 0.003 Å |
b | 13.927 ± 0.003 Å |
c | 18.783 ± 0.005 Å |
α | 90° |
β | 99.272 ± 0.003° |
γ | 90° |
Cell volume | 3378.7 ± 1.4 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 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 | 0.0172 |
Residual factor for significantly intense reflections | 0.0145 |
Weighted residual factors for significantly intense reflections | 0.0362 |
Weighted residual factors for all reflections included in the refinement | 0.0372 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
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/4109323.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.