Information card for entry 7062488

Structure parameters

• Common name: ABPT-CH3
• Formula: C84 H64 N8 O4 S4
• Calculated formula: C84 H64 N8 O4 S4
• Title of publication: Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation
• Authors of publication: Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 22
• Pages of publication: 10624 - 10637
• a: 13.5754 ± 0.0008 Å
• b: 12.9309 ± 0.0007 Å
• c: 19.9574 ± 0.0011 Å
• α: 90°
• β: 101.121 ± 0.002°
• γ: 90°
• Cell volume: 3437.6 ± 0.3 ų
• Cell temperature: 0 K
• Ambient diffraction temperature: 0 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.3047
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No