Information card for entry 7025492

Structure parameters

• Formula: C11 H10 Cl2 N4 O Pt
• Calculated formula: C11 H10 Cl2 N4 O Pt
• SMILES: [Pt](Cl)(Cl)([n]1cc(nc2c1cccc2)C(=O)N)[N]#CC
• 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: 8.2756 ± 0.0002 Å
• b: 8.8185 ± 0.0002 Å
• c: 19.8387 ± 0.0005 Å
• α: 90°
• β: 99.4107 ± 0.0008°
• γ: 90°
• Cell volume: 1428.31 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No