Information card for entry 2223564

Structure parameters

• Chemical name: (<i>R</i>,<i>R</i>)-(<i>N</i>,<i>N</i>'-Diferrocenylcyclohexane-1,2- diyldiimino)dibenzonitrile
• Formula: C44 H44 Fe2 N4
• Calculated formula: C44 H44 Fe2 N4
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81CN(Cc1cccc(c1)C#N)[C@@H]1CCCC[C@H]1N(Cc1cc(ccc1)C#N)C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61
• Title of publication: (<i>R</i>,<i>R</i>)-(<i>N</i>,<i>N</i>'-Diferrocenylcyclohexane-1,2-diyldiimino)dibenzonitrile
• Authors of publication: Chen, Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1201
• a: 10.302 ± 0.002 Å
• b: 17.573 ± 0.004 Å
• c: 10.746 ± 0.002 Å
• α: 90°
• β: 108.4 ± 0.03°
• γ: 90°
• Cell volume: 1846 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes