Information card for entry 4333823

Structure parameters

• Formula: C24 H28 Cl N3 O4 Pt S
• Calculated formula: C24 H28 Cl N3 O4 Pt S
• SMILES: [Pt]1([N](=C(Nc2c(OC)cccc12)Nc1c(OC)cccc1)c1c(OC)cccc1)(Cl)[S](=O)(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: 8.824 ± 0.0008 Å
• b: 10.6295 ± 0.001 Å
• c: 13.7122 ± 0.0013 Å
• α: 75.839 ± 0.004°
• β: 82.686 ± 0.005°
• γ: 84.765 ± 0.004°
• Cell volume: 1234.5 ± 0.2 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: 0.0262
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.401
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No