Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081346
Preview
Coordinates | 4081346.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H82 N4 O2 Sr |
---|---|
Calculated formula | C56 H82 N4 O2 Sr |
SMILES | [Sr]123([O](CC[O]1C)C)([N](=CC=[N]2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](=CC=[N]3c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Diazadiene Complexes of the Heavy Alkaline-Earth Metals Strontium and Barium: Structures and Reactivity |
Authors of publication | Lorenz, Volker; Hrib, Cristian G.; Grote, Dirk; Hilfert, Liane; Krasnopolski, Michael; Edelmann, Frank T. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 16 |
Pages of publication | 4636 |
a | 13.542 ± 0.003 Å |
b | 22.443 ± 0.005 Å |
c | 35.743 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10863 ± 4 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1024 |
Residual factor for significantly intense reflections | 0.0618 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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/4081346.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.