Information card for entry 4110892

Structure parameters

• Formula: C126 H44 Cl6 Co2 F30 N8 P2
• Calculated formula: C126 H44 Cl6 Co2 F30 N8 P2
• SMILES: c12c3cc4C(=c5ccc6[n]5[Co]5(n14)(n1c(=C6c4c(F)c(F)c(F)c(F)c4F)ccc1=C(c1n5c2c(c2c4n5c(c2)C(=c2ccc6[n]2[Co]25(n5c(=C6c6c(F)c(F)c(F)c(F)c6F)ccc5=C(c5n2c4c3c5)c2c(c(c(c(c2F)F)F)F)F)[P](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c1)c1c(c(c(c(c1F)F)F)F)F)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.C(Cl)(Cl)Cl.CCCCCC.C(Cl)(Cl)Cl.CCCCCC
• Title of publication: Synthesis and Biradicaloid Character of Doubly Linked Corrole Dimers
• Authors of publication: Satoru Hiroto; Ko Furukawa; Hiroshi Shinokubo; Atsuhiro Osuka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12380 - 12381
• a: 11.157 ± 0.002 Å
• b: 13.22 ± 0.002 Å
• c: 18.406 ± 0.003 Å
• α: 86.578 ± 0.003°
• β: 85.092 ± 0.003°
• γ: 79.206 ± 0.003°
• Cell volume: 2654.3 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No