Information card for entry 1100963

Structure parameters

• Formula: C32 H30 Cl10 Fe P2
• Calculated formula: C32 H30 Cl10 Fe P2
• Title of publication: Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes
• Authors of publication: Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3103 - 3111
• a: 10.6719 ± 0.0013 Å
• b: 14.4951 ± 0.0017 Å
• c: 11.6623 ± 0.0014 Å
• α: 90°
• β: 103.629 ± 0.003°
• γ: 90°
• Cell volume: 1753.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No