Information card for entry 4032689

Structure parameters

• Formula: C38 H38 B Cl N6 Ni O
• Calculated formula: C38 H38 B Cl N6 Ni O
• 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: 16.0883 ± 0.0012 Å
• b: 12.3222 ± 0.0008 Å
• c: 18.5299 ± 0.0015 Å
• α: 90°
• β: 109.158 ± 0.003°
• γ: 90°
• Cell volume: 3470 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No