Information card for entry 4515231

Structure parameters

• Formula: C20 H25 Co F12 N4 Sb2
• Calculated formula: C20 H25 Co F12 N4 Sb2
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-].[Co]12345([n]6c(N7C=CNC=17)cccc6)([N]#CC)[c]1(C)[c]2([c]3(C)[c]4([c]51C)C)C
• Title of publication: Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key
• Authors of publication: Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 10674
• a: 11.2569 ± 0.0011 Å
• b: 17.2345 ± 0.0016 Å
• c: 14.4525 ± 0.0013 Å
• α: 90°
• β: 102.365 ± 0.005°
• γ: 90°
• Cell volume: 2738.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No