Information card for entry 4515723

Structure parameters

• Formula: C40 H50 Fe N6 P2
• Calculated formula: C40 H50 Fe N6 P2
• Title of publication: Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes
• Authors of publication: Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 7973
• a: 18.6843 ± 0.0014 Å
• b: 11.1179 ± 0.0009 Å
• c: 18.9515 ± 0.0014 Å
• α: 90°
• β: 110.665 ± 0.002°
• γ: 90°
• Cell volume: 3683.5 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No