Information card for entry 4327794

Structure parameters

• Formula: C34 H32 Fe2 N4
• Calculated formula: C34 H32 Fe2 N4
• SMILES: [Fe]12345678([cH]9[cH]6[cH]5[cH]1[cH]39)[c]1([cH]2[cH]8[cH]4[cH]71)[C@H]1N[C@H]([C@@H](N1Cc1ccncc1)[c]12[Fe]3456789([cH]1[cH]7[cH]5[cH]23)[cH]1[cH]9[cH]6[cH]8[cH]41)c1ccncc1.[Fe]12345678([cH]9[cH]6[cH]5[cH]1[cH]39)[c]1([cH]2[cH]8[cH]4[cH]71)[C@@H]1N[C@@H]([C@H](N1Cc1ccncc1)[c]12[Fe]3456789([cH]1[cH]7[cH]5[cH]23)[cH]1[cH]9[cH]6[cH]8[cH]41)c1ccncc1
• 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: 20.31 ± 0.007 Å
• b: 9.335 ± 0.003 Å
• c: 28.613 ± 0.008 Å
• α: 90°
• β: 101.138 ± 0.009°
• γ: 90°
• Cell volume: 5323 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1033
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No