Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233913
Preview
Coordinates | 2233913.cif |
---|---|
Structure factors | 2233913.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(hydrazin-1-ium) bis(μ~2~-pyridazine-3,6-dicarboxylato)bis(aqualithiate) octaaquabis(μ~3~-pyridazine-3,6-dicarboxylato)tetralithium |
---|---|
Formula | C24 H38 Li6 N12 O26 |
Calculated formula | C24 H38 Li6 N12 O26 |
SMILES | [NH3+]N.[NH3+]N.O=C1O[Li]23([OH2])OC(=O)c4ccc5C(=O)O[Li]6([OH2])(OC(=O)c7ccc1[n]2[n]67)[n]5[n]34.O=C1O[Li]23([OH2])[n]4c1ccc1C(=O)[O]([Li]5([OH2])(OC(=O)c6ccc(C(=O)[O]3[Li]([OH2])([OH2])[OH2])[n]2[n]56)[n]41)[Li]([OH2])([OH2])[OH2] |
Title of publication | Bis(hydrazin-1-ium) bis(μ~2~-pyridazine-3,6-dicarboxylato)bis(aqualithiate) octaaquabis(μ~3~-pyridazine-3,6-dicarboxylato)tetralithium |
Authors of publication | Starosta, Wojciech; Leciejewicz, Janusz |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | m324 - m325 |
a | 7.0999 ± 0.0014 Å |
b | 7.239 ± 0.0014 Å |
c | 22.608 ± 0.005 Å |
α | 86.4 ± 0.03° |
β | 87.68 ± 0.03° |
γ | 61.49 ± 0.03° |
Cell volume | 1019 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0979 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1568 |
Weighted residual factors for all reflections included in the refinement | 0.2038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2233913.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.