Information card for entry 4333821

Structure parameters

• Formula: C27 H35 Cl2 N3 O Pt S
• Calculated formula: C27 H35 Cl2 N3 O Pt S
• SMILES: [Pt](Cl)(Cl)([S](=O)(C)C)[N](=C(Nc1c(ccc(c1)C)C)Nc1c(ccc(c1)C)C)c1c(ccc(c1)C)C
• 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: 10.154 ± 0.005 Å
• b: 11.26 ± 0.005 Å
• c: 12.97 ± 0.004 Å
• α: 106.736 ± 0.005°
• β: 99.459 ± 0.004°
• γ: 97.13 ± 0.005°
• Cell volume: 1377.5 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No