Information card for entry 7125737

Structure parameters

• Formula: C112 H104 N4 S4
• Calculated formula: C112 H104 N4 S4
• Title of publication: A wide-range of redox states of core-modified expanded porphyrinoids.
• Authors of publication: Ambhore, Madan D.; Basavarajappa, Ashokkumar; Anand, Venkataramanarao G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 47
• Pages of publication: 6763 - 6766
• a: 50.346 ± 0.015 Å
• b: 16.533 ± 0.005 Å
• c: 29.033 ± 0.008 Å
• α: 90°
• β: 112.241 ± 0.009°
• γ: 90°
• Cell volume: 22368 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No