Information card for entry 7015476

Structure parameters

• Formula: C29 H22 F6 Fe2 N4
• Calculated formula: C29 H22 F6 Fe2 N4
• Title of publication: Synthesis, crystal structure, electrochemistry and in situ FTIR spectroelectrochemistry of a bisferrocene pyrazole derivative.
• Authors of publication: Zhang, Qiong; Song, Wen-Li; Showkot Hossain, A. M.; Liu, Zhao-Di; Hu, Gui-Ju; Tian, Yu-Peng; Wu, Jie-Ying; Jin, Bao-Kang; Zhou, Hong-Ping; Yang, Jia-Xiang; Zhang, Sheng-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3510 - 3516
• a: 12.2286 ± 0.0009 Å
• b: 17.4493 ± 0.0013 Å
• c: 25.3574 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5410.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No