Information card for entry 7720069

Structure parameters

• Formula: C22 H17 B Fe1.5 N10 O S
• Calculated formula: C22 H17 B Fe1.5 N10 O S
• Title of publication: Modulating multi-channel bistability in cyanide-bridged {Fe₂Fe} spin-crossover coordination polymers.
• Authors of publication: Li, Xin-Feng; Wang, Hao; Chen, Du-Yong; Liu, Qiang; Xiao, Jingyi; Wen, Wen; Jiang, Wen-Jing; Zhao, Liang; Meng, Yin-Shan; Liu, Tao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2702 - 2708
• a: 24.4993 ± 0.0007 Å
• b: 14.6755 ± 0.0004 Å
• c: 13.4219 ± 0.0004 Å
• α: 90°
• β: 92.191 ± 0.001°
• γ: 90°
• Cell volume: 4822.2 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No