Information card for entry 4078532

Structure parameters

• Formula: C26 H42 Fe P2
• Calculated formula: C26 H42 Fe P2
• SMILES: [Fe]12345([P](C)(C)CC[P]1(C)C)(CC(=C\c1ccccc1)/C)[c]1([c]2([c]3([c]4([c]51C)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: 9.8454 ± 0.0002 Å
• b: 15.7886 ± 0.0004 Å
• c: 16.69 ± 0.0004 Å
• α: 76.568 ± 0.002°
• β: 85.622 ± 0.002°
• γ: 87.456 ± 0.002°
• Cell volume: 2515.1 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No