Information card for entry 7135064

Structure parameters

• Formula: C88.5 H47 Cu N12 O
• Calculated formula: C88 H44 Cu N12
• Title of publication: π-Extended Cis- and Trans-Bis(Tetracyanobutadiene) Cu-Porphyrins with Unusual Multiredox Behavior
• Authors of publication: Jangra, Reena; Bulbul, Amir Sohel; Sankar, Muniappan
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 13.047 ± 0.003 Å
• b: 13.52 ± 0.003 Å
• c: 21.777 ± 0.005 Å
• α: 79.204 ± 0.009°
• β: 73.104 ± 0.008°
• γ: 77.349 ± 0.009°
• Cell volume: 3554.7 ± 1.4 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 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: 0.2848
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2297
• Weighted residual factors for all reflections included in the refinement: 0.3194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No