Information card for entry 7057255

Structure parameters

• Formula: C95.7 H67.7 Cl5.1 N12 Zn2
• Calculated formula: C95.7 H67.7 Cl5.1 N12 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: 12.5752 ± 0.001 Å
• b: 16.1287 ± 0.0008 Å
• c: 23.4657 ± 0.0019 Å
• α: 106.012 ± 0.001°
• β: 92.051 ± 0.002°
• γ: 111.422 ± 0.002°
• Cell volume: 4208.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.177
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.2875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No