Information card for entry 7060415

Structure parameters

• Formula: C56 H28 Co F10 N4 O P
• Calculated formula: C56 H28 Co F10 N4 O P
• SMILES: [Co]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)n4c5C(=c6n3c(=C(c3[n]2c(cc3)=C(c2n1c(c4cc5)cc2)c1c(F)c(F)c(F)c(F)c1F)c1cccc(c1)C=O)cc6)c1c(F)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: 8.5533 ± 0.0005 Å
• b: 12.3838 ± 0.0007 Å
• c: 23.3415 ± 0.0012 Å
• α: 94.017 ± 0.004°
• β: 93.627 ± 0.005°
• γ: 93.244 ± 0.005°
• Cell volume: 2456.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No