Information card for entry 7059696

Structure parameters

• Formula: C60 H52 N6 Ni2 O6
• Calculated formula: C60 H52 N6 Ni2 O6
• Title of publication: Using the Ni-[(benzylprolyl)amino]benzophenone complex in the Glaser reaction for the synthesis of bis α-amino acids
• Authors of publication: Mkrtchyan, Anna F.; Hayriyan, Liana A.; Karapetyan, Ani J.; Tovmasyan, Anna S.; Tsaturyan, Avetis H.; Khrustalev, Victor N.; Maleev, Viktor I.; Saghyan, Ashot S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 11927 - 11932
• a: 12.983 ± 0.003 Å
• b: 12.994 ± 0.003 Å
• c: 33.62 ± 0.007 Å
• α: 90°
• β: 91.884 ± 0.004°
• γ: 90°
• Cell volume: 5669 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1028
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No