Information card for entry 2236311

Structure parameters

• Chemical name: Tetrakis(μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>)dicyanidotetrakis[tris(2- aminoethyl)amine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']tetracopper(II)iron(II) bis[pentacyanidonitrosoferrate(II)] hexahydrate
• Formula: C40 H84 Cu4 Fe3 N34 O8
• Calculated formula: C40 H72 Cu4 Fe3 N34 O2
• Title of publication: Tetrakis(μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>)dicyanidotetrakis[tris(2-aminoethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']tetracopper(II)iron(II) bis[pentacyanidonitrosoferrate(II)] hexahydrate
• Authors of publication: Kozachuk, Olesia V.; Rusanova, Julia A.; Nesterova, Oksana V.; Zubatyuk, Roman; Shishkin, Oleg V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1266 - m1267
• a: 7.927 ± 0.0002 Å
• b: 14.9656 ± 0.0004 Å
• c: 17.5565 ± 0.0004 Å
• α: 114.879 ± 0.003°
• β: 94.021 ± 0.002°
• γ: 98.909 ± 0.002°
• Cell volume: 1845.3 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0834
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes