Information card for entry 4306002

Structure parameters

• Formula: C19 H16 F3 N5 O3 Pt S
• Calculated formula: C18 H16 N5 Pt
• SMILES: [Pt]12([n]3ccccc3c3cc(N(C)C)cc([n]13)c1cccc[n]21)C#N
• Title of publication: DNA-Binding and Physical Studies of Pt(4'-NR2-trpy)CN+ Systems (trpy = 2,2':6',2''-Terpyridine)
• Authors of publication: Meaghan L. Clark; Robert L. Green; Olivia E. Johnson; Phillip E. Fanwick; David R. McMillin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9410 - 9418
• a: 18.6654 ± 0.0014 Å
• b: 14.3779 ± 0.0011 Å
• c: 15.5628 ± 0.0006 Å
• α: 90°
• β: 102.954 ± 0.004°
• γ: 90°
• Cell volume: 4070.3 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No