Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1508916
Preview
Coordinates | 1508916.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 Cu N6 S2 |
---|---|
Calculated formula | C18 H18 Cu N6 S2 |
SMILES | [Cu]123SC(=N[N]3=CC=[N]2N=C(S1)N(C)c1ccccc1)N(c1ccccc1)C |
Title of publication | In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes. |
Authors of publication | Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G. |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2013 |
Journal volume | 56 |
Journal issue | 3 |
Pages of publication | 722 - 734 |
a | 31.372 ± 0.003 Å |
b | 7.5677 ± 0.0008 Å |
c | 7.9918 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1897.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0499 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0903 |
Weighted residual factors for all reflections included in the refinement | 0.0963 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508916.cif |
75475 | 2013-03-10 | cif/ Adding structures of 1508916, 1508917, 1508918 via cif-deposit CGI script. |
1508916.cif |
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.