Information card for entry 7058321

Structure parameters

• Formula: C31 H23 Cl5 N6 Pt2 S2
• Calculated formula: C31 H23 Cl5 N6 Pt2 S2
• Title of publication: Half-lantern cyclometalated Pt(ii) and Pt(iii) complexes with bridging heterocyclic thiolate ligands: synthesis, structural characterization, and electrochemical and photophysical properties
• Authors of publication: Shahsavari, Hamid R.; Lalinde, Elena; Moreno, M. Teresa; Niazi, Maryam; Kazemi, Sayed Habib; Abedanzadeh, Sedigheh; Barazandeh, Mohammad; Halvagar, Mohammad Reza
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 20
• Pages of publication: 7716
• a: 10.492 ± 0.002 Å
• b: 24.782 ± 0.005 Å
• c: 13.53 ± 0.003 Å
• α: 90°
• β: 99.24 ± 0.03°
• γ: 90°
• Cell volume: 3472.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0802
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No