Information card for entry 2313058

Structure parameters

• Chemical name: <i>rac</i>-Dibromido[1-(dimethylaminomethyl)-2-(pyrrolidin-1-ylmethyl)\ ferrocene]zinc(II)
• Formula: C18 H26 Br2 Fe N2 Zn
• Calculated formula: C18 H26 Br2 Fe N2 Zn
• Title of publication: Crystal structure and Hirshfeld surface analysis of 1-(di-methyl-amino-meth-yl)-2-(pyrrolidin-1-ylmeth-yl)ferrocene complexes with zinc(II) bromide and cadmium(II) bromide.
• Authors of publication: Moritz, Beata; Mairath, Tristan; Strohmann, Carsten
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 600 - 605
• a: 13.5397 ± 0.0011 Å
• b: 10.4169 ± 0.0009 Å
• c: 15.3223 ± 0.0014 Å
• α: 90°
• β: 112.846 ± 0.004°
• γ: 90°
• Cell volume: 1991.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0401
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No