Information card for entry 7715359

Structure parameters

• Formula: C28 H28 F6 Fe N12 O8 S2
• Calculated formula: C28 H28 F6 Fe N12 O8 S2
• Title of publication: Fine-tuning of thermally induced SCO behaviors of trinuclear cyanido-bridged complexes by regulating the electron donating ability of C_CN-terminal fragments.
• Authors of publication: Huang, Ying-Ying; He, Yong; Liu, Yang; Fu, Jin-Hui; Liu, Xiao-Lin; Wu, Xin-Tao; Sheng, Tian-Lu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 3777 - 3784
• a: 10.898 ± 0.002 Å
• b: 11.798 ± 0.003 Å
• c: 15.055 ± 0.004 Å
• α: 87.208 ± 0.007°
• β: 75.799 ± 0.005°
• γ: 78.617 ± 0.007°
• Cell volume: 1839.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No