Information card for entry 4314277

Structure parameters

• Formula: C36 H32 F6 Fe O8 P2 Pd S2
• Calculated formula: C36 H32 F6 Fe O8 P2 Pd S2
• Title of publication: Equilibria between Metallosupramolecular Squares and Triangles with the New Rigid Linker 1,4-Bis(4-pyridyl)tetrafluorobenzene. Experimental and Theoretical Study of the Structural Dependence of NMR Data
• Authors of publication: Montserrat Ferrer; Mounia Mounir; Oriol Rossell; Eliseo Ruiz; Miguel Angel Maestro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5890 - 5899
• a: 12.2828 ± 0.0011 Å
• b: 18.0154 ± 0.0016 Å
• c: 18.1363 ± 0.0016 Å
• α: 90°
• β: 97.67 ± 0.02°
• γ: 90°
• Cell volume: 3977.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No