Information card for entry 2221518

Structure parameters

• Chemical name: Bis(ferrocenecarbaldehyde thiosemicarbazonato-κ^2^<i>N</i>,<i>S</i>)zinc(II)
• Formula: C24 H24 Fe2 N6 S2 Zn
• Calculated formula: C24 H24 Fe2 N6 S2 Zn
• SMILES: [Zn]12(SC(=N[N]1=C[c]13[cH]4[Fe]56789%101([cH]3[cH]5[cH]46)[cH]1[cH]7[cH]8[cH]9[cH]%101)N)SC(=N[N]2=C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)N
• Title of publication: Bis(ferrocenecarbaldehyde thiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)zinc
• Authors of publication: Vikneswaran, M. R.; Teoh, Siang Guan; Razak, Ibrahim Abdul; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m373 - m374
• a: 10.8483 ± 0.0002 Å
• b: 14.7547 ± 0.0002 Å
• c: 16.1686 ± 0.0002 Å
• α: 90°
• β: 105.252 ± 0.001°
• γ: 90°
• Cell volume: 2496.85 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.01
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes