Information card for entry 7044533

Structure parameters

• Formula: C38 H30 Cl2 N P Pt S
• Calculated formula: C38 H30 Cl2 N P Pt S
• SMILES: [Pt]1(c2c3c4[n]1cccc4ccc3ccc2)(Sc1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 10.0395 ± 0.0002 Å
• b: 10.969 ± 0.0002 Å
• c: 15.0116 ± 0.0003 Å
• α: 85.137 ± 0.001°
• β: 85.669 ± 0.002°
• γ: 78.299 ± 0.002°
• Cell volume: 1610.06 ± 0.06 ų
• Cell temperature: 294.6 ± 0.1 K
• Ambient diffraction temperature: 294.6 ± 0.1 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: 0.0192
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No