Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4517095
Preview
Coordinates | 4517095.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H12 Cl2 N8 Zn |
---|---|
Calculated formula | C12 H12 Cl2 N8 Zn |
SMILES | [Cl-].Cl[Zn]12([n]3cc[nH]c3c3[nH]cc[n]13)[n]1cc[nH]c1c1[nH]cc[n]21 |
Title of publication | Syntheses and Crystal Structures of Metal Complexes with 2,2′-Biimidazole-like Ligand and Chloride: Investigation of X−H···Cl (X = N, O, and C) Hydrogen Bonding and Cl−π (imidazolyl) Interactions |
Authors of publication | Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui |
Journal of publication | Crystal Growth & Design |
Year of publication | 2008 |
Journal volume | 8 |
Journal issue | 7 |
Pages of publication | 2282 |
a | 11.0868 ± 0.0007 Å |
b | 11.0868 ± 0.0007 Å |
c | 12.7783 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1570.7 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 94 |
Hermann-Mauguin space group symbol | P 42 21 2 |
Hall space group symbol | P 4n 2n |
Residual factor for all reflections | 0.0266 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0679 |
Weighted residual factors for all reflections included in the refinement | 0.0686 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/4517095.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.