Information card for entry 4078528

Structure parameters

• Formula: C20 H26 Fe
• Calculated formula: C20 H26 Fe
• SMILES: [Fe]12345678(C[C]1(=[CH]2[C]13C=CC=C[CH]4=1)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Flexibility of an Open Indenyl Ligand in Iron(II) Complexes
• Authors of publication: Glöckner, Andreas; Bannenberg, Thomas; Ibrom, Kerstin; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.; Tamm, Matthias
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4480
• a: 13.5328 ± 0.0008 Å
• b: 6.873 ± 0.0004 Å
• c: 17.8642 ± 0.0012 Å
• α: 90°
• β: 104.134 ± 0.006°
• γ: 90°
• Cell volume: 1611.27 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No