Information card for entry 4078182

Structure parameters

• Formula: C30 H25 Br2 Cl6 Fe N3
• Calculated formula: C30 H25 Br2 Cl6 Fe N3
• SMILES: [Fe]12([n]3c(c4ccccc4)cccc3c3[n]1c(ccc3)c1[n]2c(ccc1)c1ccccc1)(Br)Br.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Catalytic Hydrosilylation of Alkenes by Iron Complexes Containing Terpyridine Derivatives as Ancillary Ligands
• Authors of publication: Kamata, Kouji; Suzuki, Atsuko; Nakai, Yuta; Nakazawa, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3825 - 3828
• a: 9.104 ± 0.003 Å
• b: 11.125 ± 0.004 Å
• c: 16.529 ± 0.006 Å
• α: 96.254 ± 0.013°
• β: 90.176 ± 0.009°
• γ: 92.435 ± 0.011°
• Cell volume: 1662.6 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No