Information card for entry 7135240

Structure parameters

• Formula: C42 H55 N5 S6 Zn
• Calculated formula: C42 H55 N5 S6 Zn
• Title of publication: Nickel-Catalyzed Dehydrogenative Zn–Zn Coupling to a Zn(I) Dimer and Its Reactivity
• Authors of publication: Rajput, Sagrika; PADHAN, SMRUTIRANI; M T, Nithya; Mukhopadhyay, Sayantan; Nembenna, Sharanappa
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 16.7048 ± 0.0009 Å
• b: 14.9584 ± 0.0007 Å
• c: 17.0574 ± 0.0009 Å
• α: 90°
• β: 92.938 ± 0.004°
• γ: 90°
• Cell volume: 4256.7 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No