Information card for entry 4327796

Structure parameters

• Formula: C24 H19 Fe N3
• Calculated formula: C24 H19 Fe N3
• SMILES: [Fe]12345678([c]9([cH]5[cH]4[cH]2[cH]19)C1n2c4c(nc2c2c(N1)cccc2)cccc4)[cH]1[cH]3[cH]6[cH]7[cH]81
• Title of publication: Synthesis and Characterization of Electroactive Ferrocene Derivatives: Ferrocenylimidazoquinazoline as a Multichannel Chemosensor Selectively for Hg2+ and Pb2+ Ions in an Aqueous Environment
• Authors of publication: Rampal Pandey; Rakesh Kumar Gupta; Mohammad Shahid; Biswajit Maiti; Arvind Misra; Daya Shankar Pandey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 298 - 311
• a: 11.481 ± 0.002 Å
• b: 13.352 ± 0.002 Å
• c: 12.126 ± 0.002 Å
• α: 90°
• β: 104.349 ± 0.003°
• γ: 90°
• Cell volume: 1800.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0856
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.344
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No