Information card for entry 4114907

Structure parameters

• Common name: Co-(SO2)2-corrole
• Formula: C71 H47 Co F15 N6 O4 P S2
• Calculated formula: C71 H47 Co F15 N6 O4 P S2
• SMILES: [Co]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)n4c5cc(S(=O)(=O)N6CCCCC6)c4C(=c4[n]1c(cc4)C(=c1n2c(cc1)=C(c1n3c5cc1S(=O)(=O)N1CCCCC1)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1ccccc1
• Title of publication: Selective Substitution of Corroles: Nitration, Hydroformylation, and Chlorosulfonation
• Authors of publication: Irena Saltsman; Atif Mahammed; Israel Goldberg; Elena Tkachenko; Mark Botoshansky; Zeev Gross
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 7411 - 7420
• a: 13.827 ± 0.003 Å
• b: 13.815 ± 0.003 Å
• c: 18.209 ± 0.004 Å
• α: 76.76 ± 0.02°
• β: 79.18 ± 0.02°
• γ: 70.13 ± 0.02°
• Cell volume: 3161.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1695
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2469
• Weighted residual factors for all reflections included in the refinement: 0.2698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No