Information card for entry 2230442

Structure parameters

• Chemical name: dicarbonyl-3κ^2^<i>C</i>-(μ~3~-3,6-dimethyl- 3,6-diazaoctane-1,8-dithiolato- 1:2:3κ^7^<i>S</i>:<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>':<i>S</i>, <i>S</i>')(μ~2~-3,6-dimethyl-3,6-diazaoctane-1,8-dithiolato- 1:2κ^5^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>':<i>S</i>)-1,2-diiron(II)- 3-nickel(0)
• Formula: C18 H36 Fe2 N4 Ni O2 S4
• Calculated formula: C18 H36 Fe2 N4 Ni O2 S4
• Title of publication: A trinuclear Fe‒Fe‒Ni complex formed by ligand reshuffling
• Authors of publication: Peleg, Ariel; Lo, Wenfeng; Jiang, Jianfeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m766 - m767
• a: 8.4051 ± 0.0003 Å
• b: 12.7146 ± 0.0005 Å
• c: 13.3451 ± 0.0005 Å
• α: 70.475 ± 0.001°
• β: 83.208 ± 0.001°
• γ: 79.309 ± 0.001°
• Cell volume: 1318.38 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes