Information card for entry 7115172

Structure parameters

• Formula: C29 H67 Fe N O4 P4
• Calculated formula: C27 H56 Fe N O3.5 P4
• Title of publication: Michael addition of N-bonded enolato ligands to acrylonitrile in iron and ruthenium complexes
• Authors of publication: Hirano, Masafumi; Kiyota, Sayori; Imoto, Masataka; Komiya, Sanshiro
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 1679
• a: 32.31 ± 0.02 Å
• b: 13.63 ± 0.01 Å
• c: 17.54 ± 0.01 Å
• α: 90°
• β: 111.68 ± 0.04°
• γ: 90°
• Cell volume: 7178 ± 8 ų
• Cell temperature: 113.2 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 significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No