Information card for entry 7716940

Structure parameters

• Formula: C16 H20 Fe N8 O4 Pd S4
• Calculated formula: C14 H12 Fe N8 O2 Pd S4
• Title of publication: Two 2D spin-crossover coordination polymers constructed by [Pd(SCN)₄]^2- building blocks.
• Authors of publication: Xie, Kai-Ping; Peng, Zhi-Zhen; Ruan, Ze-Yu; Fan, Wei-Ding; Chen, Yan-Ru; Zheng, Xiao-Dan; Zou, Yu-Bo; Wu, Si-Guo; Xiao, Zi-Cheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 37
• Pages of publication: 15681 - 15687
• a: 18.9051 ± 0.0014 Å
• b: 16.8361 ± 0.0015 Å
• c: 8.3979 ± 0.0008 Å
• α: 90°
• β: 115.949 ± 0.003°
• γ: 90°
• Cell volume: 2403.5 ± 0.4 ų
• Cell temperature: 99.98 K
• Ambient diffraction temperature: 99.98 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: 0.0675
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No