Information card for entry 2242772

Structure parameters

• Chemical name: poly[bis(μ-2-bromopyrazine)tetra-μ~2~-cyanido-dicopper(I)iron(II)]
• Formula: C12 H6 Br2 Cu2 Fe N8
• Calculated formula: C12 H6 Br2 Cu2 Fe N8
• Title of publication: Crystal structure of poly[bis(μ-2-bromopyrazine)tetra-μ~2~-cyanido-dicopper(I)iron(II)]: a bimetallic metal-organic framework
• Authors of publication: Kucheriv, Olesia I.; Tokmenko, Inna I.; Matushko, Igor P.; Tsapyuk, Galyna G.; Gural'skiy, Il'ya A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• Pages of publication: 1895 - 1898
• a: 13.6143 ± 0.0017 Å
• b: 9.3067 ± 0.0011 Å
• c: 13.2101 ± 0.0015 Å
• α: 90°
• β: 92.369 ± 0.004°
• γ: 90°
• Cell volume: 1672.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0309
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes