Information card for entry 1514556

Structure parameters

• Formula: C102 H94 B2 Fe2 O P6
• Calculated formula: C102 H94 B2 Fe2 O 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: 33.2834 ± 0.0006 Å
• b: 33.2834 ± 0.0006 Å
• c: 16.7509 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18556.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No