Information card for entry 2209630

Structure parameters

• Chemical name: 1,1'-Bis{α-[(4-methylbenzyl)imino]benzyl}ferrocene
• Formula: C40 H36 Fe N2
• Calculated formula: C40 H36 Fe N2
• SMILES: [Fe]12345678([cH]9[c]4([cH]3[cH]2[cH]19)\C(=N/Cc1ccc(cc1)C)c1ccccc1)[cH]1[cH]5[cH]6[cH]7[c]81/C(=N\Cc1ccc(cc1)C)c1ccccc1
• Title of publication: 1,1'-Bis{α-[(4-methylbenzyl)imino]benzyl}ferrocene
• Authors of publication: Hong-Xing Wang; Ren-Qing Gao; Hong-Fei Wu; Feng-Ying Geng; Xiao-Li Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1623 - m1624
• a: 10.827 ± 0.005 Å
• b: 10.818 ± 0.005 Å
• c: 27.055 ± 0.012 Å
• α: 90°
• β: 91.947 ± 0.008°
• γ: 90°
• Cell volume: 3167 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes