Information card for entry 4085909

Structure parameters

• Formula: C27 H39.75 Cl0.75 F3.75 Fe0.75 N2.25 P1.5
• Calculated formula: C27 H39.75 Cl0.75 F3.75 Fe0.75 N2.25 P1.5
• 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: 20.6241 ± 0.0004 Å
• b: 20.6241 ± 0.0004 Å
• c: 17.184 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6330 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No