Information card for entry 2003968

Structure parameters

• Chemical name: 2-Ferrocenylquinoxaline
• Formula: C18 H14 Fe N2
• Calculated formula: C18 H14 Fe N2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1nc2c(nc1)cccc2)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: 2-Ferrocenylquinoxaline
• Authors of publication: Ferguson, G.; Glidewell, C.; Scott, J. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 1989 - 1991
• a: 11.101 ± 0.002 Å
• b: 8.6795 ± 0.0007 Å
• c: 14.648 ± 0.002 Å
• α: 90°
• β: 100.457 ± 0.011°
• γ: 90°
• Cell volume: 1387.9 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.0901
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.167
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No