Information card for entry 7714133

Structure parameters

• Formula: C18 H12 Br I N2 Pt S
• Calculated formula: C18 H12 Br I N2 Pt S
• Title of publication: X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding
• Authors of publication: Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 23.4868 ± 0.0001 Å
• b: 18.5731 ± 0.0001 Å
• c: 16.4848 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7191.04 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No