Information card for entry 4088812

Structure parameters

• Formula: C37 H55 Fe N3 P
• Calculated formula: C37 H55 Fe N3 P
• Title of publication: Reactivity of (Pyridine-Diimine)Fe Alkyl Complexes with Carbon Dioxide
• Authors of publication: Lau, Ka-Cheong; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3658
• a: 17.2088 ± 0.0012 Å
• b: 12.6102 ± 0.0008 Å
• c: 16.3707 ± 0.0011 Å
• α: 90°
• β: 100.567 ± 0.002°
• γ: 90°
• Cell volume: 3492.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No