Information card for entry 2022132

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]
• Formula: C42 H39 Au3 Fe N12 O4
• Calculated formula: C42 H39 Au3 Fe N12 O4
• Title of publication: Crystal structure of catena-poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]
• Authors of publication: Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Shova, Sergiu; Gural'skiy, Il'ya A.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 944
• a: 10.5601 ± 0.0007 Å
• b: 11.0044 ± 0.0012 Å
• c: 11.8145 ± 0.001 Å
• α: 80.212 ± 0.008°
• β: 69.124 ± 0.007°
• γ: 78.565 ± 0.007°
• Cell volume: 1249.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes