Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4319853
Preview
Coordinates | 4319853.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H32 As Co F6 N4 O3 |
---|---|
Calculated formula | C16 H32 As Co F6 N4 O3 |
SMILES | [Co]1234([NH]6CCC[N]71CCC[NH]2CCC[N]3(CCC6)CCC7)OC(=O)O4.[As](F)(F)([F-])(F)(F)F |
Title of publication | Cobalt(III) Complexes of [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane. Report of an Inert, Chelate Hydrogen Carbonate Ion |
Authors of publication | Louise Broge; Inger Søtofte; Carl Erik Olsen; Johan Springborg |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 3124 - 3129 |
a | 12.847 ± 0.003 Å |
b | 15.677 ± 0.003 Å |
c | 22.024 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4435.7 ± 1.6 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.2514 |
Residual factor for significantly intense reflections | 0.0814 |
Weighted residual factors for all reflections | 0.1827 |
Weighted residual factors for significantly intense reflections | 0.1203 |
Goodness-of-fit parameter for all reflections | 1.056 |
Goodness-of-fit parameter for significantly intense reflections | 1.163 |
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/4319853.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.