Information card for entry 7250969

Structure parameters

• Formula: C20 H12 Br Cl3 I N3 Pt S
• Calculated formula: C20 H12 Br Cl3 I N3 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: 9.1118 ± 0.0005 Å
• b: 9.4747 ± 0.0006 Å
• c: 26.5196 ± 0.0013 Å
• α: 90°
• β: 94.91 ± 0.005°
• γ: 90°
• Cell volume: 2281.1 ± 0.2 ų
• Cell temperature: 299.49 ± 0.1 K
• Ambient diffraction temperature: 299.49 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No