Information card for entry 7714127

Structure parameters

• Formula: C18 H12 Br I N2 O Pt
• Calculated formula: C18 H12 Br I N2 O Pt
• SMILES: [Pt]1(c2oc3ccccc3c2c2[n]1cccc2)(Br)[n]1ccc(I)cc1
• 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: 7.3445 ± 0.0001 Å
• b: 11.2531 ± 0.0002 Å
• c: 21.0064 ± 0.0004 Å
• α: 90°
• β: 98.666 ± 0.002°
• γ: 90°
• Cell volume: 1716.32 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0258
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No