Information card for entry 4326031

Structure parameters

• Formula: C38 H30 Cl6 F6 Fe2 N8 O6 S2 Zn
• Calculated formula: C38 H30 Cl6 F6 Fe2 N8 O6 S2 Zn
• Title of publication: Synthesis, Structural Charaterization, and Electrochemical and Optical Properties of Ferrocene-Triazole-Pyridine Triads
• Authors of publication: Tomás Romero; Raúl A. Orenes; Arturo Espinosa; Alberto Tárraga; Pedro Molina
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8214 - 8224
• a: 17.594 ± 0.007 Å
• b: 7.632 ± 0.003 Å
• c: 18.746 ± 0.007 Å
• α: 90°
• β: 108.263 ± 0.006°
• γ: 90°
• Cell volume: 2390.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No