Information card for entry 2018376

Structure parameters

• Chemical name: 1-ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)imidazolidin-3-ium iodide salt
• Formula: C24 H29 Fe I N2
• Calculated formula: C24 H29 Fe I N2
• SMILES: [I-].[Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CN1C=[N+](CC1)Cc1c(cc(cc1C)C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: 1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1<i>H</i>-imidazolidin-3-ium iodide and <i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin-2-ylidene)diiodidopalladium(II)
• Authors of publication: Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m48 - m52
• a: 10.6277 ± 0.0012 Å
• b: 7.4514 ± 0.0008 Å
• c: 28.293 ± 0.003 Å
• α: 90°
• β: 95.603 ± 0.009°
• γ: 90°
• Cell volume: 2229.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes