Information card for entry 4066004

Structure parameters

• Formula: C52 H45 Fe I N2 O
• Calculated formula: C52 H45 Fe I N2 O
• Title of publication: Iron(II) Complexes Bearing Chelating Cyclopentadienyl-N-Heterocyclic Carbene Ligands as Catalysts for Hydrosilylation and Hydrogen Transfer Reactions
• Authors of publication: Kandepi, V. V. Krishna Mohan; Cardoso, João M. S.; Peris, Eduardo; Royo, Beatriz
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2777
• a: 39.092 ± 0.004 Å
• b: 12.4169 ± 0.0014 Å
• c: 20.3028 ± 0.0019 Å
• α: 90°
• β: 115.382 ± 0.004°
• γ: 90°
• Cell volume: 8903.7 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No