Information card for entry 7063091

Structure parameters

• Formula: C30 H22.5 Fe N2
• Calculated formula: C30 H22.5 Fe N2
• SMILES: [Fe]12345678([cH]9[cH]3[cH]2[cH]4[c]19c1ccc(c2ccc(/C=C(C#N)/c3ncccc3)cc2)cc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Designing a ferrocene biphenyl pyridine modified electrode for the non-enzymatic electrochemical detection of catechol
• Authors of publication: Purushothaman, Palani; Mohanapriya, Devarasu; Thenmozhi, Kathavarayan; Karpagam, Subramanian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 6893 - 6901
• a: 10.3385 ± 0.0007 Å
• b: 11.3107 ± 0.0008 Å
• c: 20.2487 ± 0.0014 Å
• α: 94.76 ± 0.002°
• β: 98.914 ± 0.002°
• γ: 105.686 ± 0.002°
• Cell volume: 2232.6 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1826
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No