Information card for entry 7135244

Structure parameters

• Formula: C63 H83 N5 Se Zn
• Calculated formula: C63 H83 N5 Se 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: 13.6388 ± 0.0003 Å
• b: 14.3737 ± 0.0005 Å
• c: 15.113 ± 0.0004 Å
• α: 99.88 ± 0.003°
• β: 92.266 ± 0.002°
• γ: 96.26 ± 0.002°
• Cell volume: 2896.27 ± 0.15 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No