Information card for entry 4343383

Structure parameters

• Formula: C20 H20 Cl N O3 Pt S
• Calculated formula: C20 H20 Cl N O3 Pt S
• SMILES: Cl[Pt]1(c2ccccc2c2cc(c3c(cccc3)[n]12)C(=O)OCC)[S](C)(C)=O
• Title of publication: Phosphorescent, Cyclometalated Cinchophen-Derived Platinum Complexes: Syntheses, Structures, and Electronic Properties.
• Authors of publication: Stacey, Oliver J.; Platts, James A.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6528 - 6536
• a: 9.8021 ± 0.0007 Å
• b: 10.3147 ± 0.0007 Å
• c: 11.2998 ± 0.0007 Å
• α: 115.732 ± 0.005°
• β: 107.041 ± 0.005°
• γ: 96.348 ± 0.004°
• Cell volume: 945.75 ± 0.13 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: 0.0168
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No