Information card for entry 1576622

Structure parameters

• Formula: C36 H35 Br N2 Ni
• Calculated formula: C36 H35 Br N2 Ni
• Title of publication: Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons
• Authors of publication: Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1238 - 1249
• a: 10.977 ± 0.002 Å
• b: 11.712 ± 0.003 Å
• c: 12.949 ± 0.003 Å
• α: 95.407 ± 0.005°
• β: 103.657 ± 0.005°
• γ: 103.77 ± 0.005°
• Cell volume: 1551.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0845
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No