Information card for entry 4078696

Structure parameters

• Formula: C15 H19 Cl2 N6 P Pt S
• Calculated formula: C15 H19 Cl2 N6 P Pt S
• SMILES: [Pt]12(c3cc(Cl)c(Cl)cc3C(=[N]2N=C(S1)N)C)[P]12CN3CN(C1)CN(C2)C3
• Title of publication: Exploring the Versatility of Cycloplatinated Thiosemicarbazones as Antitumor and Antiparasitic Agents
• Authors of publication: Chellan, Prinessa; Land, Kirkwood M.; Shokar, Ajit; Au, Aaron; An, Seung Hwan; Clavel, Catherine M.; Dyson, Paul J.; Kock, Carmen de; Smith, Peter J.; Chibale, Kelly; Smith, Gregory S.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 16
• Pages of publication: 5791
• a: 19.176 ± 0.004 Å
• b: 6.0493 ± 0.0012 Å
• c: 17.977 ± 0.004 Å
• α: 90°
• β: 114.13 ± 0.03°
• γ: 90°
• Cell volume: 1903.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No