Information card for entry 2244135

Structure parameters

• Chemical name: μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis{bis[3-methyl-5-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^4^,<i>N</i>^5^]iron(II)} bis(toluenesulfonate) 2.75-hydrate
• Formula: C48 H51.5 Fe2 N16 O12.75 S2
• Calculated formula: C48 H51.5 Fe2 N16 O12.75 S2
• Title of publication: Synthesis and crystal structure of hydrated μ-oxalato-bis{bis[3-methyl-5-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole]iron(II)} bis(toluenesulfonate) 2.75-hydrate
• Authors of publication: Petrenko, Yuliia P.; Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Gural'skiy, Il`ya A.; Shova, Sergiu; Lampeka, Rostyslav D.; Raspertova, Ilona V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 8
• a: 9.9635 ± 0.0004 Å
• b: 14.4905 ± 0.0006 Å
• c: 20.1131 ± 0.0008 Å
• α: 96.736 ± 0.004°
• β: 101.49 ± 0.004°
• γ: 95.216 ± 0.004°
• Cell volume: 2806.5 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes