Information card for entry 7219395

Structure parameters

• Formula: C22 H23 Fe N3 O4
• Calculated formula: C22 H23 Fe N3 O4
• SMILES: [cH]12[cH]3[cH]4[CH]5[c]1(C=NNC(=O)COc1cccc6cccnc16)[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.O.O
• Title of publication: Unprecedented ferrocene-quinoline conjugates: facile proton conduction via 1D helical water chains and selective chemosensor for Zn(II) ion in water
• Authors of publication: Ponniah S, Joseph; Barik, Subrat Kumar; Borthakur, Rosmita; Thakur, Arunabha; Garai, Bikash; Jana, Sourita; Ghosh, Sundargopal
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.9238 ± 0.0015 Å
• b: 19.006 ± 0.0016 Å
• c: 7.3188 ± 0.0007 Å
• α: 90°
• β: 99.414 ± 0.011°
• γ: 90°
• Cell volume: 2048 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No