Information card for entry 1517152

Structure parameters

• 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 ų
• 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