Information card for entry 7123430

Structure parameters

• Formula: C112 H104 Cl12 N4 S4 Sb2
• Calculated formula: C112 H104 Cl12 N4 S4 Sb2
• SMILES: c12ccc(C(=c3ccc(=C(c4ccc(C(=c5ccc(=C(c6ccc(C(=c7ccc(=C(c8ccc(C(=c9ccc(=C1c1c(cc(cc1C)C)C)[n]9)c1c(C)cc(C)cc1C)s8)c1c(C)cc(C)cc1C)[n]7)c1c(C)cc(C)cc1C)s6)c1c(C)cc(C)cc1C)[n]5)c1c(C)cc(C)cc1C)s4)c1c(C)cc(C)cc1C)[n]3)c1c(C)cc(C)cc1C)s2.Cl[Sb](Cl)(Cl)(Cl)([Cl-])Cl.Cl[Sb](Cl)(Cl)(Cl)([Cl-])Cl
• 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: 23.875 ± 0.006 Å
• b: 21.397 ± 0.005 Å
• c: 24.554 ± 0.006 Å
• α: 90°
• β: 108.515 ± 0.004°
• γ: 90°
• Cell volume: 11894 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.269
• Residual factor for significantly intense reflections: 0.1469
• Weighted residual factors for significantly intense reflections: 0.3596
• Weighted residual factors for all reflections included in the refinement: 0.4181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No