Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1517152
Preview
| Coordinates | 1517152.cif |
|---|
| Chemical name | O,O'-dipropyl-ethylenediamine-N,N'-di-S,S-(2,2'-dibenzyl) acetate dihydrochloride |
|---|---|
| Formula | C26 H38 Cl2 N2 O4 |
| Calculated formula | C26 H38 Cl2 N2 O4 |
| SMILES | [Cl-].[Cl-].[NH2+](CC[NH2+][C@H](C(=O)OCCC)Cc1ccccc1)[C@H](C(=O)OCCC)Cc1ccccc1 |
| Title of publication | Stereospecific ligands and their complexes. Part XV. Synthesis, characterization and cytotoxicity of novel platinum(IV) complexes with some esters of ethylenediamine-N,,N'N'-di-S,,S-(2,2''-dibenzyl)acetic acid. Crystal structure of O,,O''-dipropyl-ethylenediamine‒N,,N''-di-S,,S-(2,2''-dibenzyl)acetate dihydrochloride |
| Authors of publication | Dejana P. Dimitrijevic; Verica V. Glodovic; Gordana P. Radic; Santiago Garcia-Granda; Laura Menendez-Taboada; Marija Milovanovic; Vladislav Volarevic; Nebojsa Arsenijevic; Goran A. Bogdanovic; Srecko R. Trifunovic |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 402 |
| Pages of publication | 83 - 89 |
| a | 5.2333 ± 0.0005 Å |
| b | 15.577 ± 0.002 Å |
| c | 16.8148 ± 0.0019 Å |
| α | 90° |
| β | 94.495 ± 0.01° |
| γ | 90° |
| Cell volume | 1366.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1346 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.797 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
1517152.cif |
| 120420 | 2014-07-15 | cif/ Adding structures of 1517152 via cif-deposit CGI script. |
1517152.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.