Information card for entry 4125537

Structure parameters

• Common name: Co(14-TMC)(NO3)2
• Formula: C14 H32 Co N6 O6
• Calculated formula: C14 H32 Co N6 O6
• SMILES: [Co]1234(ON(=[O]1)=O)[N]1(CCC[N]2(C)CC[N]3(CCC[N]4(C)CC1)C)C.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: 17.067 ± 0.0008 Å
• b: 12.9148 ± 0.0006 Å
• c: 8.7358 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1925.52 ± 0.17 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No