Information card for entry 7057254

Structure parameters

• Formula: C85 H58 Cl4 N8 O2 S2 Zn2
• Calculated formula: C85 H58 Cl4 N8 O2 S2 Zn2
• Title of publication: Molecular brakes based on the Zn(ii) porphyrin dimer
• Authors of publication: Meshkov, Ivan N.; Bulach, Véronique; Gorbunova, Yulia G.; Jouaiti, Abdelaziz; Sinelshchikova, Anna A.; Kyritsakas, Nathalie; Grigoriev, Mikhail S.; Tsivadze, Aslan Yu.; Hosseini, Mir Wais
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 7816
• a: 27.288 ± 0.002 Å
• b: 12.4967 ± 0.0009 Å
• c: 21.3304 ± 0.0015 Å
• α: 90°
• β: 91.548 ± 0.004°
• γ: 90°
• Cell volume: 7271.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1671
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No