Information card for entry 4083145

Structure parameters

• Chemical name: (2S,2'S)-bis-N-[alpha-{2-[1-benzyl(pyrrolidine-2-yl) carbonylamino]phenyl}benzylidene]glycinato-(N,N,N,O) nickel
• Formula: C55.52 H52.24 N6 Ni2 O6.6
• Calculated formula: C55.5215 H52.24 N6 Ni2 O6.5985
• Title of publication: Chiral Nickel(II) Binuclear Complexes: Targeted Diastereoselective Electrosynthesis
• Authors of publication: Magdesieva, Tatiana V.; Levitskiy, Oleg A.; Grishin, Yuri K.; Ambartsumyan, Asmik A.; Paseshnichenko, Ksenia A.; Kolotyrkina, Natalia G.; Kochetkov, Konstantin A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4639
• a: 14.0814 ± 0.0002 Å
• b: 18.7855 ± 0.0002 Å
• c: 37.682 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9967.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No