Information card for entry 4071643

Structure parameters

• Formula: C24 H18 Fe
• Calculated formula: C24 H18 Fe
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C=C1c2c(c3ccccc13)cccc2)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?
• Authors of publication: Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4173
• a: 16.3657 ± 0.0011 Å
• b: 9.7933 ± 0.0007 Å
• c: 21.6578 ± 0.0015 Å
• α: 90°
• β: 99.704 ± 0.001°
• γ: 90°
• Cell volume: 3421.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No