Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7022816
Preview
Coordinates | 7022816.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N,N-bis(phenyl)-2,6-bis-(benzimidazol-2-yl)pyridine dichoride zinc(II) |
---|---|
Formula | C31 H21 Cl2 N5 Zn |
Calculated formula | C31 H21 Cl2 N5 Zn |
SMILES | [Zn]12([n]3c4ccccc4n(c4ccccc4)c3c3[n]1c(ccc3)c1[n]2c2c(n1c1ccccc1)cccc2)(Cl)Cl |
Title of publication | Zinc(II) complexes containing bis-benzimidazole derivatives as a new class of apoptosis inducers that trigger DNA damage-mediated p53 phosphorylation in cancer cells. |
Authors of publication | Liu, Shenggui; Cao, Wenqiang; Yu, Lianling; Zheng, Wenjie; Li, Linlin; Fan, Cundong; Chen, Tianfeng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 16 |
Pages of publication | 5932 - 5940 |
a | 15.743 ± 0.002 Å |
b | 9.4359 ± 0.0014 Å |
c | 17.663 ± 0.003 Å |
α | 90° |
β | 90.993 ± 0.002° |
γ | 90° |
Cell volume | 2623.4 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0351 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0631 |
Weighted residual factors for all reflections included in the refinement | 0.0663 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/7022816.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.