Information card for entry 4080938

Structure parameters

• Formula: C19 H34 F6 Fe N3 O2 P2 Sb
• Calculated formula: C19 H34 F6 Fe N3 O2 P2 Sb
• Title of publication: Heterolytic Cleavage of Dihydrogen by an Iron(II) PNP Pincer Complex via Metal‒Ligand Cooperation
• Authors of publication: Bichler, Bernhard; Holzhacker, Christian; Stöger, Berthold; Puchberger, Michael; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4114
• a: 10.8864 ± 0.0005 Å
• b: 14.8347 ± 0.0007 Å
• c: 16.8177 ± 0.0008 Å
• α: 90°
• β: 94.269 ± 0.002°
• γ: 90°
• Cell volume: 2708.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0734
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for significantly intense reflections: 3.42
• Goodness-of-fit parameter for all reflections included in the refinement: 2.87
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No