Information card for entry 7715355

Structure parameters

• Formula: C100 H98 F6 Fe3 N14 O6 P4 S2
• Calculated formula: C100 H98 F6 Fe3 N14 O6 P4 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: 11.8086 ± 0.0002 Å
• b: 14.1394 ± 0.0003 Å
• c: 15.534 ± 0.0004 Å
• α: 70.707 ± 0.002°
• β: 84.123 ± 0.002°
• γ: 81.194 ± 0.002°
• Cell volume: 2415.41 ± 0.1 ų
• Cell temperature: 100 ± 18 K
• Ambient diffraction temperature: 100 ± 18 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No