Information card for entry 7123429

Structure parameters

• Formula: C116 H112 Cl12 N4 S4
• Calculated formula: C116 H112 Cl12 N4 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: 18.33 ± 0.012 Å
• b: 14.715 ± 0.009 Å
• c: 19.877 ± 0.012 Å
• α: 90°
• β: 96.404 ± 0.014°
• γ: 90°
• Cell volume: 5328 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1503
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No