Information card for entry 2023022

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-[Chloro[(4-ferrocenylphenyl)imino]methyl]-\ 4-ferrocenylaniline <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C36 H34 Cl Fe2 N3 O
• Calculated formula: C36 H34 Cl Fe2 N3 O
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-<i>N</i>-{chloro-[(4-ferrocenylphen-yl)imino]-meth-yl}-4-ferrocenylaniline <i>N</i>,<i>N</i>-di-methyl-formamide monosolvate.
• Authors of publication: Sghyar, Riham; Bentama, Abdeslem; Haoudi, Amal; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; El Hadrami, El Mestafa; Sebbar, Nada Kheira
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 3
• Pages of publication: 262 - 266
• a: 8.0175 ± 0.001 Å
• b: 11.3134 ± 0.0014 Å
• c: 17.408 ± 0.002 Å
• α: 95.099 ± 0.002°
• β: 99.963 ± 0.002°
• γ: 96.414 ± 0.002°
• Cell volume: 1536 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes