Information card for entry 7041600

Structure parameters

• Formula: C13 H9 Cl2 N3 Pt
• Calculated formula: C13 H9 Cl2 N3 Pt
• SMILES: [Pt]1([n]2c(c3cccc[n]13)cnc1ccccc21)(Cl)Cl
• Title of publication: Synthesis, reactivity and characterization of Pt(ii) complexes with N,N' chelating ligands; structure and dimethylsulfoxide reactivity relationship.
• Authors of publication: Ypsilantis, Konstantinos; Tsolis, Theodoros; Kourtellaris, Andreas; Manos, Manolis J.; Plakatouras, John C.; Garoufis, Achilleas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1467 - 1480
• a: 30.8793 ± 0.0011 Å
• b: 30.8793 ± 0.0011 Å
• c: 6.8697 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5672.9 ± 0.3 ų
• Cell temperature: 100.05 ± 0.1 K
• Ambient diffraction temperature: 100.05 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No