Information card for entry 7022521

Structure parameters

• Formula: C28 H23 F6 N5 O6 Pt S2
• Calculated formula: C28 H23 F6 N5 O6 Pt S2
• SMILES: [Pt]12([n]3c(cc(cc3c3cccc[n]23)c2c(cccc2)C)c2[n]1cccc2)[n]1ccn(C)c1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A kinetic and mechanistic study into the substitution behaviour of platinum(II) polypyridyl complexes with a series of azole ligands.
• Authors of publication: Shaira, A.; Reddy, D.; Jaganyi, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8426 - 8436
• a: 10.318 ± 0.005 Å
• b: 12.1 ± 0.005 Å
• c: 12.915 ± 0.005 Å
• α: 105.648 ± 0.005°
• β: 98.516 ± 0.005°
• γ: 92.891 ± 0.005°
• Cell volume: 1528.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No