Information card for entry 4326033

Structure parameters

• Formula: C24 H18 Fe N8
• Calculated formula: C24 H18 Fe N8
• SMILES: [Fe]12345678([c]9(n%10nnc(c%10)c%10ncccc%10)[cH]1[cH]2[cH]3[cH]49)[c]1(n2nnc(c2)c2ncccc2)[cH]5[cH]6[cH]7[cH]81
• 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: 12.786 ± 0.001 Å
• b: 9.2525 ± 0.0007 Å
• c: 16.9941 ± 0.0013 Å
• α: 90°
• β: 98.508 ± 0.002°
• γ: 90°
• Cell volume: 1988.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No