Information card for entry 7123427

Structure parameters

• Formula: C66 H22 Cl12 F20 N2 S4 Sb2
• Calculated formula: C66 H22 Cl12 F20 N2 S4 Sb2
• 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: 11.5683 ± 0.0014 Å
• b: 16.3145 ± 0.0019 Å
• c: 22.437 ± 0.003 Å
• α: 90°
• β: 100.478 ± 0.002°
• γ: 90°
• Cell volume: 4163.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No