Information card for entry 1100962

Structure parameters

• Formula: C35 H35 Cl Fe P2
• Calculated formula: C35 H35 Cl 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: 12.114 ± 0.0005 Å
• b: 13.1394 ± 0.0006 Å
• c: 19.0367 ± 0.0009 Å
• α: 90°
• β: 91.137 ± 0.001°
• γ: 90°
• Cell volume: 3029.5 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No