Information card for entry 7039471

Structure parameters

• Formula: C24 H20 Fe N6
• Calculated formula: C24 H20 Fe N6
• SMILES: C1=NN([Fe]2([n]3c1cccc3)[n]1c(C=NN2c2ccccc2)cccc1)c1ccccc1
• Title of publication: Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.
• Authors of publication: Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11061 - 11070
• a: 18.647 ± 0.004 Å
• b: 9.818 ± 0.002 Å
• c: 11.893 ± 0.003 Å
• α: 90°
• β: 107.839 ± 0.004°
• γ: 90°
• Cell volume: 2072.6 ± 0.8 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No