Information card for entry 7025732

Structure parameters

• Formula: C24 H38 N18 O Pt2 S4
• Calculated formula: C24 H38 N18 O Pt2 S4
• SMILES: C1(=N[N]2=C(c3n4[Pt]2(S1)[S]=C(NN=C(c1nn2c(C(C)=[N]5N=C(N(C)C)S[Pt]25[S]=C(NN=C(c(n3)n4)C)N(C)C)n1)C)N(C)C)C)N(C)C.O
• Title of publication: Chemistry, antiproliferative activity and low nephrotoxicity of 3,5-diacetyl-1,2,4-triazol bis(4N-thiosemicarbazone) ligands and their platinum(II) complexes.
• Authors of publication: Matesanz, Ana I.; Joie, Céline; Souza, Pilar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 7059 - 7065
• a: 8.1428 ± 0.0007 Å
• b: 12.4059 ± 0.001 Å
• c: 19.2779 ± 0.0018 Å
• α: 90°
• β: 96.615 ± 0.004°
• γ: 90°
• Cell volume: 1934.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No