Information card for entry 4086691

Structure parameters

• Formula: C186 H163 B2 Co2 F48 Fe2 N4 O4
• Calculated formula: C186 H163 B2 Co2 F48 Fe2 N4 O4
• Title of publication: Redox-Switchable Hydroelementation of a Cobalt Complex Supported by a Ferrocene-Based Ligand
• Authors of publication: Shepard, Scott M.; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 15
• Pages of publication: 2446
• a: 12.6844 ± 0.0008 Å
• b: 15.1762 ± 0.0009 Å
• c: 22.9468 ± 0.0014 Å
• α: 93.889 ± 0.001°
• β: 103.455 ± 0.001°
• γ: 94.369 ± 0.001°
• Cell volume: 4266.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No