Information card for entry 7123428

Structure parameters

• Formula: C66 H22 F20 N2 S4
• Calculated formula: C66 H22 F20 N2 S4
• Title of publication: Wide-Range Redox States of Core-Modified Expanded Porphyrinoids
• Authors of publication: Ambhore, Madan; Basavarajappa, Ashokkumar; Anand, Venkataramanarao Govindan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.2671 ± 0.0013 Å
• b: 12.536 ± 0.003 Å
• c: 18.175 ± 0.004 Å
• α: 77.166 ± 0.005°
• β: 89.244 ± 0.006°
• γ: 77.342 ± 0.006°
• Cell volume: 1357.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No