Information card for entry 4080939

Structure parameters

• Formula: C20 H35 Cl2 Fe N3 O2 P2
• Calculated formula: C20 H35 Cl2 Fe N3 O2 P2
• 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: 9.33 ± 0.006 Å
• b: 14.762 ± 0.009 Å
• c: 18.911 ± 0.012 Å
• α: 90.517 ± 0.014°
• β: 93.27 ± 0.02°
• γ: 93.48 ± 0.02°
• Cell volume: 2595 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0566
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for significantly intense reflections: 2.9
• Goodness-of-fit parameter for all reflections included in the refinement: 2.64
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No