Information card for entry 7062357

Structure parameters

• Formula: C29 H26 Fe2 N2
• Calculated formula: C29 H26 Fe2 N2
• SMILES: [Fe]12345678([c]9([cH]7[cH]8[cH]6[cH]19)c1n(c6c(n1)cc(cc6)C)C[c]16[cH]7[Fe]89%10%11%12%131([cH]6[cH]9[cH]78)[cH]1[cH]%10[cH]%12[cH]%13[cH]%111)[cH]1[cH]2[cH]5[cH]4[cH]31
• Title of publication: Mono- and di-ferrocene conjugated 5-methyl benzimidazole based multi-channel receptors for cations/anions with their antimicrobial and anticancer studies
• Authors of publication: Nedunchezhian, Kavitha; Nallathambi, Sengottuvelan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 4656 - 4666
• a: 9.6083 ± 0.0004 Å
• b: 14.0301 ± 0.0006 Å
• c: 17.6821 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2383.64 ± 0.19 ų
• Cell temperature: 303.9 ± 0.8 K
• Ambient diffraction temperature: 303.9 ± 0.8 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: 0.1206
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No