Information card for entry 2220974

Structure parameters

• Chemical name: 2-Ferrocenyl-<i>N</i>-(2-ferrocenylbenzoyl)-<i>N</i>-(4-methyl-2- pyridyl)benzamide
• Formula: C40 H32 Fe2 N2 O2
• Calculated formula: C40 H32 Fe2 N2 O2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1c(C(=O)N(C(=O)c2c([c]34[cH]9[Fe]%10%11%12%13%14%153([cH]4[cH]%10[cH]9%11)[cH]3[cH]%12[cH]%13[cH]%14[cH]%153)cccc2)c2cc(ccn2)C)cccc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: 2-Ferrocenyl-<i>N</i>-(2-ferrocenylbenzoyl)-<i>N</i>-(4-methyl-2-pyridyl)benzamide
• Authors of publication: Gallagher, John F.; Alley, Steven; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m332 - m333
• a: 12.0861 ± 0.0007 Å
• b: 12.4935 ± 0.0008 Å
• c: 12.5028 ± 0.0008 Å
• α: 65.159 ± 0.003°
• β: 62.696 ± 0.003°
• γ: 81.58 ± 0.003°
• Cell volume: 1519.83 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes