Information card for entry 4317771

Structure parameters

• Formula: C30 H28 Cl5 N Pt S
• Calculated formula: C30 H28 Cl5 N Pt S
• SMILES: C[Pt]1(C)(c2c(c(c(c(c2C=[N]1Cc1ccccc1)Cl)Cl)Cl)Cl)([S](Cc1ccccc1)Cc1ccccc1)Cl
• Title of publication: Substitution Reactions on Cyclometalated Pt(IV) Complexes. Associative Tuning by Fluoro Ligands and Fluorinated Substituents
• Authors of publication: Paul V. Bernhardt; Carlos Gallego; Manuel Martinez; Teodor Parella
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1747 - 1754
• a: 10.818 ± 0.001 Å
• b: 12.224 ± 0.0007 Å
• c: 12.162 ± 0.002 Å
• α: 90°
• β: 110.436 ± 0.01°
• γ: 90°
• Cell volume: 1507.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No