Information card for entry 1514554

Structure parameters

• Formula: C124 H208 B2 Cl4 Fe2 N2 O2 P6
• Calculated formula: C124 H208 B2 Cl4 Fe2 N2 O2 P6
• Title of publication: CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling
• Authors of publication: Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 4042
• a: 22.7338 ± 0.0016 Å
• b: 15.5757 ± 0.0011 Å
• c: 17.6503 ± 0.0013 Å
• α: 90°
• β: 110.288 ± 0.001°
• γ: 90°
• Cell volume: 5862.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1743
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 2.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No