Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4080693
Preview
Coordinates | 4080693.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H44 K2 N2 O |
---|---|
Calculated formula | C28 H44 K2 N2 O |
SMILES | [K]12[NH](c3c(cccc3C(C)C)C(C)C)[K]([O]13CCCC3)[NH]2c1c(cccc1C(C)C)C(C)C |
Title of publication | 2,6-Diisopropylphenylamides of Potassium and Calcium: A Primary Amido Ligand in s-Block Metal Chemistry with an Unprecedented Catalytic Reactivity |
Authors of publication | Glock, Carsten; Younis, Fadi M.; Ziemann, Steffen; Görls, Helmar; Imhof, Wolfgang; Krieck, Sven; Westerhausen, Matthias |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2649 |
a | 13.0114 ± 0.0003 Å |
b | 11.4886 ± 0.0002 Å |
c | 19.3697 ± 0.0005 Å |
α | 90° |
β | 100.042 ± 0.001° |
γ | 90° |
Cell volume | 2851.08 ± 0.11 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 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 | 0.0612 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.0957 |
Weighted residual factors for all reflections included in the refinement | 0.1041 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/4080693.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.