Information card for entry 4307294

Structure parameters

• Formula: C22 H34 Br0.64 Cl0.36 Fe N2 O Si2
• Calculated formula: C22 H34 Br0.64 Cl0.36 Fe N2 O Si2
• Title of publication: Chelating or Bridging? Halide-Controlled Binding Mode of Diamido Donor Ligands in Iron(III) Complexes
• Authors of publication: Anjan Kumar Das; Zohreh Moatazedi; Garry Mund; Andrew J. Bennet; Raymond J. Batchelor; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 366 - 368
• a: 15.9792 ± 0.0013 Å
• b: 12.0218 ± 0.0011 Å
• c: 15.0858 ± 0.0013 Å
• α: 90°
• β: 116.73 ± 0.002°
• γ: 90°
• Cell volume: 2588.3 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0949
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8786
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No