Information card for entry 7060414

Structure parameters

• Formula: C44 H21 F10 N7 O
• Calculated formula: C44 H21 F10 N7 O
• SMILES: Fc1c(C2=c3[nH]c(=C(c4cc(ccc4)/C=N/NC(=O)c4ccncc4)c4nc(=C(c5[nH]c(c6[nH]c2cc6)cc5)c2c(F)c(F)c(F)c(F)c2F)cc4)cc3)c(F)c(F)c(F)c1F
• Title of publication: Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution
• Authors of publication: Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 5127 - 5136
• a: 41.43 ± 0.004 Å
• b: 16.3457 ± 0.0014 Å
• c: 12.9588 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8775.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No