Information card for entry 7044534

Structure parameters

• Formula: C36 H27 N2 P Pt S
• Calculated formula: C36 H27 N2 P Pt S
• SMILES: [Pt]1(c2c3c4[n]1cccc4ccc3ccc2)(Sc1ncccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Influence of Thiolate Ligands on Luminescent Properties of Cycloplatinated(II) Complexes
• Authors of publication: Jamshidi, Mahboubeh; Babaghasabha, Mojgan; Shahsavari, Hamid R.; Nabavizadeh, S. Masoud
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.6231 ± 0.0003 Å
• b: 8.2315 ± 0.0001 Å
• c: 20.0833 ± 0.0003 Å
• α: 90°
• β: 116.938 ± 0.002°
• γ: 90°
• Cell volume: 2892.02 ± 0.09 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No