Information card for entry 4122115

Structure parameters

• Formula: C25 H35 B10 N O2 Pt S
• Calculated formula: C25 H35 B10 N O2 Pt S
• Title of publication: Brightly Luminescent Pt(II) Pincer Complexes with a Sterically Demanding Carboranyl-Phenylpyridine Ligand: A New Material Class for Diverse Optoelectronic Applications.
• Authors of publication: Prokhorov, Anton M.; Hofbeck, Thomas; Czerwieniec, Rafal; Suleymanova, Alfiya F.; Kozhevnikov, Dmitry N.; Yersin, Hartmut
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 27
• Pages of publication: 9637 - 9642
• a: 10.5213 ± 0.0002 Å
• b: 13.7538 ± 0.0003 Å
• c: 20.8719 ± 0.0004 Å
• α: 90°
• β: 101.581 ± 0.002°
• γ: 90°
• Cell volume: 2958.84 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 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: 0.0499
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No