Information card for entry 7052375

Structure parameters

• Formula: C21 H20 Fe N2
• Calculated formula: C21 H20 Fe N2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)/C=N/CCc1c[nH]c2c1cccc2)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 7.232 ± 0.0014 Å
• b: 9.89 ± 0.002 Å
• c: 24.259 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1735.1 ± 0.6 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No