Information card for entry 4307908

Structure parameters

• Formula: C17.5 H19.5 Cl3.5 N O Pt S
• Calculated formula: C17.5 H19.5 Cl3.5 N O Pt S
• SMILES: ClC(Cl)Cl.[Pt]([S]1(=O)CCCC1)([NH]=C(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: First Example of the Solid-State Thermal Cyclometalation of Ligated Benzophenone Imine Giving Novel Luminescent Platinum(II) Species
• Authors of publication: Yulia Yu. Scaffidi-Domianello; Alexey A. Nazarov; Matti Haukka; Markus Galanski; Bernhard K. Keppler; Jacob Schneider; Pingwu Du; Richard Eisenberg; Vadim Yu. Kukushkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4469 - 4482
• a: 19.869 ± 0.002 Å
• b: 18.081 ± 0.003 Å
• c: 23.197 ± 0.002 Å
• α: 90°
• β: 99.181 ± 0.011°
• γ: 90°
• Cell volume: 8226.8 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No