Information card for entry 2005663

Structure parameters

• Formula: C26 H28 Fe2
• Calculated formula: C26 H28 Fe2
• SMILES: [Fe]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]123[cH]5[cH]6[cH]7[c]482[cH]2[Fe]5678914([cH]2[cH]35)[c]12[c]6(CC=C1)[cH]7[cH]8[cH]92
• Title of publication: Triple-Decker [Cp*Fe(C~8~H~6~)Fe(C~8~H~7~)]
• Authors of publication: Alvarez-Larena, A.; Briansó, J. L.; Piniella, J. F.; Farran, J.; Manríquez, J. M.; Chávez, I.; Oelckers, B.; Molins, E.; Miravitlles, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2754 - 2757
• a: 11.216 ± 0.001 Å
• b: 14.366 ± 0.002 Å
• c: 12.837 ± 0.003 Å
• α: 90°
• β: 92.03 ± 0.01°
• γ: 90°
• Cell volume: 2067.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.0886
• Goodness-of-fit parameter for all reflections: 0.971
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No