Information card for entry 2001534

Structure parameters

• Chemical name: cis-1-Ferrocenyl-2-(2-nitrophenyl)ethylene
• Formula: C18 H15 Fe N O2
• Calculated formula: C18 H15 Fe N O2
• SMILES: [Fe]12345678([cH]9[c]2([cH]3[cH]4[cH]19)/C=C/c1c(N(=O)=O)cccc1)[cH]1[cH]5[cH]6[cH]7[cH]18
• Title of publication: <i>cis</i>-1-Ferrocenyl-2-(2-nitrophenyl)ethylene
• Authors of publication: Todres, Z. V.; Yanovsky, A. I.; Ermekov, D. S.; Struchkov, Yu. T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 1352 - 1354
• a: 18.731 ± 0.004 Å
• b: 7.789 ± 0.002 Å
• c: 10.371 ± 0.002 Å
• α: 90°
• β: 96.32 ± 0.02°
• γ: 90°
• Cell volume: 1503.9 ± 0.6 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections: 0.1597
• Weighted residual factors for significantly intense reflections: 0.1399
• Goodness-of-fit parameter for all reflections: 1.194
• Goodness-of-fit parameter for significantly intense reflections: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No