Information card for entry 7716943

Structure parameters

• Formula: C62 H51 Fe2 N25 Pd2 S8
• Calculated formula: C52 H36 Fe2 N20 Pd2 S8
• 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: 8.448 ± 0.002 Å
• b: 14.572 ± 0.004 Å
• c: 17.009 ± 0.004 Å
• α: 114.715 ± 0.008°
• β: 90.629 ± 0.007°
• γ: 103.534 ± 0.009°
• Cell volume: 1835.2 ± 0.8 ų
• Cell temperature: 200.03 K
• Ambient diffraction temperature: 200.03 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: 0.1514
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2673
• Weighted residual factors for all reflections included in the refinement: 0.3021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No