Information card for entry 4076407

Structure parameters

• Formula: C17 H28 Cl N6 O3 Pt S4
• Calculated formula: C17 H29 Cl N6 O3 Pt S4
• SMILES: [Pt]12(c3c(C(=[N]2NC(=[S]1)N)C)scc3)[S]=C(N)N/N=C(c1sccc1)\C.[Cl-].OC.OC.OC
• Title of publication: Organoplatinum(II) Complexes with 2-Acetylthiophene Thiosemicarbazone: Synthesis, Characterization, Crystal Structures, and in Vitro Antitumor Activity
• Authors of publication: Ali, Awadelkareem A.; Nimir, Hassan; Aktas, Cenk; Huch, Volker; Rauch, Ulrich; Schäfer, Karl-Herbert; Veith, Michael
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2256
• a: 7.7013 ± 0.0014 Å
• b: 12.887 ± 0.002 Å
• c: 15.119 ± 0.003 Å
• α: 70.48 ± 0.008°
• β: 75.639 ± 0.009°
• γ: 75.383 ± 0.009°
• Cell volume: 1346.3 ± 0.4 ų
• Cell temperature: 222 ± 2 K
• Ambient diffraction temperature: 222 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2018
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No