Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2222156
Preview
Coordinates | 2222156.cif |
---|---|
Structure factors | 2222156.hkl |
Original IUCr paper | HTML |
Chemical name | Bis{μ-1,3-bis[(benzimidazol-1-yl)methyl]benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^}bis[dichloridozinc(II)] dimethylformamide disolvate |
---|---|
Formula | C50 H50 Cl4 N10 O2 Zn2 |
Calculated formula | C50 H50 Cl4 N10 O2 Zn2 |
SMILES | c12ccccc1n1c[n]2[Zn](Cl)(Cl)[n]2cn(Cc3cc(Cn4c5c(cccc5)[n](c4)[Zn]([n]4cn(Cc5cc(C1)ccc5)c1c4cccc1)(Cl)Cl)ccc3)c1c2cccc1.N(C=O)(C)C.N(C=O)(C)C |
Title of publication | Bis{μ-1,3-bis[(benzimidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}bis[dichloridozinc(II)] dimethylformamide disolvate |
Authors of publication | Zhao, Li-Zhen; Li, Ping; Cao, Bao-Liang; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 6 |
Pages of publication | m613 |
a | 24.0069 ± 0.0005 Å |
b | 9.8217 ± 0.0002 Å |
c | 23.9723 ± 0.0005 Å |
α | 90° |
β | 117.695 ± 0.001° |
γ | 90° |
Cell volume | 5004.82 ± 0.19 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.053 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.089 |
Weighted residual factors for all reflections included in the refinement | 0.097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/2222156.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.