Information card for entry 4085910

Structure parameters

• Common name: tBuFPyCpFeCl
• Formula: C26 H31 Cl0.67 F3 Fe0.67 N2 P1.33
• Calculated formula: C26 H31 Cl0.666667 F3 Fe0.666667 N2 P1.33333
• Title of publication: Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2
• Authors of publication: Liu, Tianbiao; Liao, Qian; O’Hagan, Molly; Hulley, Elliott B.; DuBois, Daniel L.; Bullock, R. Morris
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2747
• a: 14.6246 ± 0.0007 Å
• b: 15.0454 ± 0.0007 Å
• c: 18.9262 ± 0.0009 Å
• α: 90.723 ± 0.002°
• β: 104.951 ± 0.002°
• γ: 108.687 ± 0.002°
• Cell volume: 3790.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No