Information card for entry 4070903

Structure parameters

• Formula: C18 H14 Fe
• Calculated formula: C18 H14 Fe
• SMILES: c1ccc[c]23[c]41[cH]1[Fe]5678924([cH]2[cH]5[cH]8[cH]9[cH]72)[c]21[c]36cccc2
• Title of publication: Haptotropic Rearrangements in Sandwich (Fluorenyl)(Cyclopentadienyl) Iron and Ruthenium Complexes
• Authors of publication: Kirillov, Evgueni; Kahlal, Samia; Roisnel, Thierry; Georgelin, Thomas; Saillard, Jean-Yves; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 387
• a: 15.06 ± 0.002 Å
• b: 9.6563 ± 0.0016 Å
• c: 8.8505 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1287.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No