Information card for entry 2221201

Structure parameters

• Common name: Bis(ferrocenyl)benzylamide
• Chemical name: <i>rac</i>-<i>N</i>,<i>N</i>'-Bis(1-ferrocenylethyl)pyridine-2,6-dicarboxamide
• Formula: C31 H31 Fe2 N3 O2
• Calculated formula: C31 H31 Fe2 N3 O2
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[c]7([cH]81)C(NC(=O)c1nc(ccc1)C(=O)NC(C)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61)C
• Title of publication: <i>rac</i>-<i>N</i>,<i>N</i>'-Bis(1-ferrocenylethyl)pyridine-2,6-dicarboxamide
• Authors of publication: Reddy, Pattubala A. N.; Nasiruzzaman, Sk. Md; Lee, Ji Eun; Kim, Tae-Jeong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m264
• a: 13.1787 ± 0.0008 Å
• b: 10.2961 ± 0.0006 Å
• c: 19.8474 ± 0.0012 Å
• α: 90°
• β: 103.62 ± 0.001°
• γ: 90°
• Cell volume: 2617.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.127
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes