Information card for entry 7051510

Structure parameters

• Formula: C67 H69 Br3 Fe3 N6 O2
• Calculated formula: C67 H63 Br3.01 Fe3 N6 O2
• Title of publication: Anion induced binding electrochemical signal transduction in ferrocenyl benzolimidazolium podands
• Authors of publication: Bai, Yan; Zhang, Bing-Guang; Duan, Chun-Ying; Dang, Dong-Bin; Meng, Qing-Jin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 266
• a: 12.011 ± 0.001 Å
• b: 21.169 ± 0.002 Å
• c: 27.819 ± 0.003 Å
• α: 90°
• β: 98.45 ± 0.002°
• γ: 90°
• Cell volume: 6996.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.3928
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No