Information card for entry 7052376

Structure parameters

• Formula: C21 H22 Fe N2
• Calculated formula: C21 H22 Fe N2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)CNCCc1c2ccccc2[nH]c1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Synthesis, crystal structures, electrochemical and protein-binding properties of ferrocene?indole conjugates
• Authors of publication: Lo, Kenneth Kam-Wing; Lau, Jason Shing-Yip; Zhu, Nianyong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 1567
• a: 6.907 ± 0.0014 Å
• b: 13.826 ± 0.003 Å
• c: 17.936 ± 0.004 Å
• α: 90°
• β: 91.36 ± 0.03°
• γ: 90°
• Cell volume: 1712.3 ± 0.6 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No