Information card for entry 7250973

Structure parameters

• Formula: C20 H14 Br2 N4 O2 Pt S
• Calculated formula: C20 H14 Br2 N4 O2 Pt S
• Title of publication: Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes
• Authors of publication: Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 42
• Pages of publication: 6942 - 6948
• a: 9.1208 ± 0.0003 Å
• b: 9.1619 ± 0.0003 Å
• c: 25.3184 ± 0.0009 Å
• α: 90°
• β: 92.414 ± 0.003°
• γ: 90°
• Cell volume: 2113.83 ± 0.12 ų
• Cell temperature: 100.2 ± 0.4 K
• Ambient diffraction temperature: 100.2 ± 0.4 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: 0.0544
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No