Information card for entry 7034990

Structure parameters

• Common name: Fe-pic-Pd(CN)4-HS
• Formula: C16 H16 Fe N8 Pd
• Calculated formula: C16 H16 Fe N8 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: 10.2201 ± 0.0011 Å
• b: 15.6565 ± 0.0016 Å
• c: 15.9375 ± 0.0012 Å
• α: 90°
• β: 126.5 ± 0.004°
• γ: 90°
• Cell volume: 2050 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0808
• 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: Yes
• Has Fobs: No