Information card for entry 7034993

Structure parameters

• Common name: Fe-pypz-Pd(CN)4-LS
• Formula: C20 H14 Fe N10 Pd
• Calculated formula: C20 H14 Fe N10 Pd
• Title of publication: Spin crossover behaviour in one-dimensional Fe(II) compounds based on the [M(CN)4](2-) (M = Pd, Pt) units.
• Authors of publication: Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Yuan-Min; Shao, Dong; Wang, Xin-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9682 - 9690
• a: 14.255 ± 0.003 Å
• b: 10.247 ± 0.002 Å
• c: 14.539 ± 0.004 Å
• α: 90°
• β: 99.489 ± 0.004°
• γ: 90°
• Cell volume: 2094.7 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No