Information card for entry 7718157

Structure parameters

• Formula: C17 H21 Br2 N3 Ni
• Calculated formula: C17 H21 Br2 N3 Ni
• Title of publication: C-C and C-O bond formation reactivity of nickel complexes supported by the pyridinophane ^MeN3C ligand.
• Authors of publication: Leung, Joshua Ji-Nung; Bae, Dae Young; Moshood, Yusuff; Mirica, Liviu M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 5286 - 5292
• a: 12.8864 ± 0.0003 Å
• b: 15.0143 ± 0.0003 Å
• c: 18.1804 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3517.55 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No