Information card for entry 7135242

Structure parameters

• Formula: C96 H122 N10 O2 Zn2
• Calculated formula: C96 H122 N10 O2 Zn2
• 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: 12.0595 ± 0.0004 Å
• b: 12.8394 ± 0.0004 Å
• c: 15.0633 ± 0.0005 Å
• α: 106.138 ± 0.003°
• β: 108.774 ± 0.003°
• γ: 91.802 ± 0.003°
• Cell volume: 2102.42 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.15 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: 0.0646
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No