Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015888
Preview
Coordinates | 7015888.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H46 N18 Pt2 S4 |
---|---|
Calculated formula | C44 H46 N18 Pt2 S4 |
SMILES | [Pt]123SC(=N[N]2=C(c2n3nc(n2)C(=NNC(=[S][Pt]23SC(=N[N]2=C(c2n3nc(n2)C(=NNC(=[S]1)Nc1ccc(cc1)C)C)C)Nc1ccc(cc1)C)Nc1ccc(cc1)C)C)C)Nc1ccc(cc1)C |
Title of publication | Novel bis(thiosemicarbazones) of the 3,5-diacetyl-1,2,4-triazol series and their platinum(ii) complexes: chemistry, antiproliferative activity and preliminary nephrotoxicity studies. |
Authors of publication | Matesanz, Ana I.; Hernández, Carolina; Rodríguez, Ana; Souza, Pilar |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 21 |
Pages of publication | 5738 - 5745 |
a | 14.654 ± 0.004 Å |
b | 16.423 ± 0.008 Å |
c | 17.538 ± 0.008 Å |
α | 117.584 ± 0.011° |
β | 97.032 ± 0.017° |
γ | 105.311 ± 0.018° |
Cell volume | 3457 ± 3 Å3 |
Cell temperature | 230 ± 2 K |
Ambient diffraction temperature | 230 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0775 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1398 |
Weighted residual factors for all reflections included in the refinement | 0.1508 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
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/7015888.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.