Information card for entry 4125536

Structure parameters

• Common name: Ni(14-TMC)(NO3)2
• Formula: C16 H35 N7 Ni O6
• Calculated formula: C16 H35 N7 Ni O6
• SMILES: [Ni]123([N]4(CCC[N]3(C)CC[N]1(CCC[N]2(CC4)C)C)C)[N]#CC.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides.
• Authors of publication: Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 6
• Pages of publication: 2234 - 2244
• a: 13.407 ± 0.002 Å
• b: 13.407 ± 0.002 Å
• c: 24.102 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4332.3 ± 1.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No