Information card for entry 4333819

Structure parameters

• Formula: C24 H29 Cl2 N3 O Pt S
• Calculated formula: C24 H29 Cl2 N3 O Pt S
• SMILES: [Pt](Cl)(Cl)([S](=O)(C)C)[N](=C(Nc1ccccc1C)Nc1ccccc1C)c1ccccc1C
• 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: 10.504 ± 0.004 Å
• b: 11.299 ± 0.005 Å
• c: 12.294 ± 0.004 Å
• α: 111.917 ± 0.005°
• β: 103.026 ± 0.005°
• γ: 101.58 ± 0.004°
• Cell volume: 1251.6 ± 0.8 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: 0.0649
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No