Information card for entry 4088291

Structure parameters

• Formula: C11 H11 Br F6 N P S
• Calculated formula: C11 H11 Br F6 N P S
• SMILES: Brc1ccc([n+]2csc(c2C)C)cc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Photoluminescence of a New Material: Cyclometalated C∧C* Thiazole-2-ylidene Platinum(II) Complexes
• Authors of publication: Leopold, Hendrik; Tronnier, Alexander; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 959
• a: 11.871 ± 0.002 Å
• b: 9.496 ± 0.0004 Å
• c: 14.914 ± 0.004 Å
• α: 90°
• β: 117.62 ± 0.02°
• γ: 90°
• Cell volume: 1489.6 ± 0.5 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 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: 0.1311
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No