Information card for entry 4071294

Structure parameters

• Formula: C46 H71 B Fe O2 P4
• Calculated formula: C46 H71 B Fe O2 P4
• Title of publication: Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2
• Authors of publication: Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 2092
• a: 17.3563 ± 0.0004 Å
• b: 22.1987 ± 0.0006 Å
• c: 24.0438 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9263.8 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No