Information card for entry 7112179

Structure parameters

• Formula: C20 H20 Fe N12 O2 Pd S2
• Calculated formula: C18 H12 Fe1.2 N12 O2 Pd1.2 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: 7.085 ± 0.0014 Å
• b: 13.334 ± 0.003 Å
• c: 14.383 ± 0.003 Å
• α: 69.66 ± 0.03°
• β: 90.02 ± 0.03°
• γ: 74.6 ± 0.03°
• Cell volume: 1221.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2702
• Weighted residual factors for all reflections included in the refinement: 0.2738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No