Information card for entry 4333820

Structure parameters

• Formula: C25.5 H30.5 Cl6.5 N3 O4 Pt S
• Calculated formula: C25.5 H30.5 Cl6.5 N3 O4 Pt S
• SMILES: [Pt](Cl)(Cl)([S](=O)(C)C)[N](=C(Nc1c(OC)cccc1)Nc1c(OC)cccc1)c1c(OC)cccc1.ClC(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Dual Role of Acetate as a Nucleophile and as an Internal Base in Cycloplatination Reaction of sym-N,N',N"-Triarylguanidines
• Authors of publication: Palani Elumalai; Natesan Thirupathi; Munirathinam Nethaji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1883 - 1894
• a: 12.658 ± 0.005 Å
• b: 16.391 ± 0.005 Å
• c: 16.94 ± 0.004 Å
• α: 79.543 ± 0.005°
• β: 75.782 ± 0.005°
• γ: 76.201 ± 0.004°
• Cell volume: 3280.3 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No