Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040598
Preview
Coordinates | 7040598.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H22 Cl2 N8 O4 Ru |
---|---|
Calculated formula | C34 H22 Cl2 N8 O4 Ru |
SMILES | [Ru]123(Cl)([n]4c(c5[n]3cccc5)cccc4c3[n]2cccc3)[n]2c(nc3c4ccccc4c4c(cccc4)c3n2)c2[n]1ccnc2.Cl(=O)(=O)(=O)[O-] |
Title of publication | Synthesis, characterization and biological evaluation of labile intercalative ruthenium(ii) complexes for anticancer drug screening. |
Authors of publication | Huang, Huaiyi; Zhang, Pingyu; Chen, Yu; Qiu, Kangqiang; Jin, Chengzhi; Ji, Liangnian; Chao, Hui |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 33 |
Pages of publication | 13135 - 13145 |
a | 8.5691 ± 0.0005 Å |
b | 22.4491 ± 0.0013 Å |
c | 16.537 ± 0.0011 Å |
α | 90° |
β | 104.962 ± 0.002° |
γ | 90° |
Cell volume | 3073.3 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0837 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.0952 |
Weighted residual factors for all reflections included in the refinement | 0.121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/7040598.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.