Information card for entry 7135239

Structure parameters

• Formula: C102 H124 N10 S2 Zn2
• Calculated formula: C102 H124 N10 S2 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: 10.9369 ± 0.0001 Å
• b: 13.6261 ± 0.0002 Å
• c: 16.2574 ± 0.0002 Å
• α: 98.636 ± 0.001°
• β: 93.497 ± 0.001°
• γ: 109.826 ± 0.001°
• Cell volume: 2236.97 ± 0.05 ų
• Cell temperature: 100 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No