Information card for entry 2312741

Structure parameters

• Chemical name: 3,3'-Bis(ferrocenylcarbonyl)-1,1'-(benzene-1,4-diyl)bis(thiourea)
• Formula: C30 H26 Fe2 N4 O2 S2
• Calculated formula: C30 H26 Fe2 N4 O2 S2
• Title of publication: Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes.
• Authors of publication: Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• a: 10.0024 ± 0.0011 Å
• b: 11.7058 ± 0.0013 Å
• c: 12.3942 ± 0.0014 Å
• α: 87.781 ± 0.002°
• β: 69.633 ± 0.002°
• γ: 82.005 ± 0.002°
• Cell volume: 1347.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.044
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes