Information card for entry 7025493

Structure parameters

• Formula: C11 H12 Cl N3 O2 Pt S
• Calculated formula: C11 H12 Cl N3 O2 Pt S
• SMILES: [Pt]1(Cl)([S](=O)(C)C)[n]2c(cnc3ccccc23)C(=O)N1
• Title of publication: Quinoxaline-2-carboxamide as a carrier ligand in two new platinum(ii) compounds: Synthesis, crystal structure, cytotoxic activity and DNA interaction
• Authors of publication: Marqués-Gallego, Patricia; Gamiz-Gonzalez, M. Amparo; Fortea-Pérez, Francisco R.; Lutz, Martin; Spek, Anthony L.; Pevec, Andrej; Kozlevčar, Bojan; Reedijk, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 21
• Pages of publication: 5152
• a: 10.3211 ± 0.0003 Å
• b: 18.9564 ± 0.0007 Å
• c: 7.0183 ± 0.0002 Å
• α: 90°
• β: 105.028 ± 0.001°
• γ: 90°
• Cell volume: 1326.17 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No