Information card for entry 4038396

Structure parameters

• Formula: C33 H32 N3 Ni O2 P
• Calculated formula: C33 H32 N3 Ni O2 P
• Title of publication: Nickel(II) - NɅNɅO Pincer Type Complexes Catalyzed N-alkylation of Amines with Alcohols via Hydrogen Auto Transfer Reaction.
• Authors of publication: Balamurugan, Gunasekaran; Ramesh, Rengan; Malecki, Jan Grzegorz
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 18.6292 ± 0.0011 Å
• b: 12.8456 ± 0.0008 Å
• c: 25.5273 ± 0.0014 Å
• α: 90°
• β: 106.687 ± 0.006°
• γ: 90°
• Cell volume: 5851.5 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No