Information card for entry 7112180

Structure parameters

• Formula: C20 H20 Fe N12 O2 Pd S2
• Calculated formula: C18 H12 Fe N12 O2 Pd S2
• Title of publication: Spin crossover intermediate plateau stabilization in a flexible 2-D Hofmann-type coordination polymer
• Authors of publication: Y. Maximilian Klein; Natasha F. Sciortino; Florence Ragon; Catherine E. Housecroft; Cameron J. Kepert; Suzanne M. Neville
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3838
• a: 7.2333 ± 0.0015 Å
• b: 13.404 ± 0.003 Å
• c: 14.527 ± 0.003 Å
• α: 69.13 ± 0.003°
• β: 90.027 ± 0.003°
• γ: 74.359 ± 0.003°
• Cell volume: 1260 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No