Information card for entry 4083171

Structure parameters

• Formula: C42 H39 N3 Ni O5
• Calculated formula: C42 H37 N3 Ni O5
• SMILES: [Ni]123N(c4c(C(=[N]1[C@H](C(=O)O3)[C@@H](c1ccccc1)CC(=O)c1ccccc1)c1ccccc1)cccc4)C(=O)[C@H]1[N]2(CCC1)Cc1ccccc1.O
• Title of publication: Electrochemically Deprotonated Chiral Nickel(II) Glycinate in Stereoselective Nucleophilic Addition to Michael Acceptors: Advantages and Limitations
• Authors of publication: Magdesieva, Tatiana V.; Levitskiy, Oleg A.; Grishin, Yuri K.; Ambartsumyan, Asmik A.; Kiskin, Mikhail A.; Churakov, Andrei V.; Babievsky, Konstantin K.; Kochetkov, Konstantin A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4629
• a: 10.032 ± 0.004 Å
• b: 9.496 ± 0.005 Å
• c: 18.872 ± 0.005 Å
• α: 90°
• β: 99.66 ± 0.02°
• γ: 90°
• Cell volume: 1772.3 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No