Information card for entry 4115912

Structure parameters

• Formula: C46 H11 Ag F20 N4 O
• Calculated formula: C46 H11 Ag F20 N4 O
• SMILES: [Ag]123c4c5[nH]cc4C(=c4[n]1c(C(=c1[n]2c(C(=C2C=3C(=C5c3c(F)c(F)c(F)c(F)c3F)N=C2OCC)c2c(F)c(F)c(F)c(F)c2F)cc1)c1c(F)c(F)c(F)c(F)c1F)cc4)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Doubly N-Confused Porphyrin: A New Complexing Agent Capable of Stabilizing Higher Oxidation States
• Authors of publication: Hiroyuki Furuta; Hiromitsu Maeda; Atsuhiro Osuka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 803 - 807
• a: 18.734 ± 0.003 Å
• b: 8.324 ± 0.001 Å
• c: 27.674 ± 0.003 Å
• α: 90°
• β: 107.84 ± 0.01°
• γ: 90°
• Cell volume: 4108 ± 1 ų
• Cell temperature: 123.2 K
• Ambient diffraction temperature: 123.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections: 1.613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No