Information card for entry 4332641

Structure parameters

• Formula: C22 H17 Cl2 N5 Pt
• Calculated formula: C22 H17 Cl2 N5 Pt
• SMILES: [Pt]1([n]2c(c3[n]1nc(c(n3)c1ccccc1)c1ccccc1)cccc2)(Cl)Cl.N#CC
• Title of publication: Chemistry of HIV-1 Virucidal Pt Complexes Having Neglected Bidentate sp2N-Donor Carrier Ligands with Linked Triazine and Pyridine Rings. Synthesis, NMR Spectral Features, Structure, and Reaction with Guanosine
• Authors of publication: Maheshwari, Vidhi; Bhattacharyya, Debadeep; Fronczek, Frank R.; Marzilli, Patricia A.; Marzilli, Luigi G.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7182 - 7190
• a: 10.202 ± 0.002 Å
• b: 7.482 ± 0.001 Å
• c: 27.278 ± 0.007 Å
• α: 90°
• β: 93.513 ± 0.007°
• γ: 90°
• Cell volume: 2078.3 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.053
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No