Information card for entry 2203318

Structure parameters

• Chemical name: Bis(ferrocenyl methyl ketone thiosemicarbazone-κ^2^N,S)zinc tetrahydrofuran hemisolvate
• Formula: C28 H32 Fe2 N6 O0.5 S2 Zn
• Calculated formula: C28 H32 Fe2 N6 O0.5 S2 Zn
• Title of publication: Bis(ferrocenyl methyl ketone thiosemicarbazone-κ^2^<i>N</i>,<i>S</i>)zinc tetrahydrofuran hemisolvate
• Authors of publication: Li, Xun; Cui, Xue-Gui; Liu, Xin-Gang; Li, Xiao-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m307 - m308
• a: 28.912 ± 0.017 Å
• b: 28.912 ± 0.017 Å
• c: 19.784 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14322 ± 17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes