Information card for entry 2223010

Structure parameters

• Chemical name: Bis(ferrocenecarbaldehyde 4-methylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)zinc(II) methanol solvate
• Formula: C27 H32 Fe2 N6 O S2 Zn
• Calculated formula: C27 H32 Fe2 N6 O S2 Zn
• SMILES: [Zn]12(SC(=N[N]1=C[c]13[cH]4[Fe]56789%101([cH]1[cH]5[cH]6[cH]7[cH]81)[cH]4[cH]9[cH]3%10)NC)SC(=N[N]2=C[c]12[Fe]3456789([cH]%10[cH]3[cH]4[cH]5[cH]6%10)[cH]1[cH]7[cH]8[cH]29)NC.OC
• Title of publication: Bis(ferrocenecarbaldehyde 4-methylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)zinc(II) methanol solvate
• Authors of publication: Vikneswaran, M. R.; Teoh, Siang Guan; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1027
• a: 10.949 ± 0.0001 Å
• b: 9.4365 ± 0.0001 Å
• c: 28.1899 ± 0.0003 Å
• α: 90°
• β: 101.448 ± 0.001°
• γ: 90°
• Cell volume: 2854.64 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes