Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036861
Preview
Coordinates | 7036861.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104 H92 K4 N8 O2 |
---|---|
Calculated formula | C104 H92 K4 N8 O2 |
SMILES | c1([n-]ccc1)/C=N/C(c1ccccc1)(c1ccccc1)c1ccccc1.[K+].O1CCCC1 |
Title of publication | Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study. |
Authors of publication | Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 46 |
Pages of publication | 19865 - 19879 |
a | 16.7937 ± 0.0012 Å |
b | 10.7713 ± 0.0006 Å |
c | 24.1946 ± 0.0017 Å |
α | 90° |
β | 90.543 ± 0.008° |
γ | 90° |
Cell volume | 4376.4 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1102 |
Residual factor for significantly intense reflections | 0.0796 |
Weighted residual factors for significantly intense reflections | 0.2067 |
Weighted residual factors for all reflections included in the refinement | 0.2461 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7036861.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.