Information card for entry 4032688

Structure parameters

• Formula: C74 H72 B2 N12 Ni
• Calculated formula: C74 H72 B2 N12 Ni
• Title of publication: Synthesis and catalytic activity of nickel(II) complexes containing NCN pincer ligands
• Authors of publication: Ashwin G. Nair; Roy T. McBurney; Mark R.D. Gatus; D.Barney Walker; Mohan Bhadbhade; Barbara A. Messerle
• Journal of publication: Journal of Organometallic Chemistry
• Year of publication: 2017
• Journal volume: 845
• Pages of publication: 63 - 70
• a: 23.4252 ± 0.0019 Å
• b: 12.5805 ± 0.0009 Å
• c: 24.392 ± 0.002 Å
• α: 90°
• β: 118.202 ± 0.003°
• γ: 90°
• Cell volume: 6335 ± 0.9 ų
• Cell temperature: 150.02 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.3076
• Residual factor for significantly intense reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.3634
• Weighted residual factors for all reflections included in the refinement: 0.4603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No