Information card for entry 4073772

Structure parameters

• Formula: C24 H33 Cl2 Fe N3 O
• Calculated formula: C24 H33 Cl2 Fe N3 O
• SMILES: [Fe]12(Cl)(Cl)[n]3c(cccc3C([OH]1)(C)C)C(=[N]2c1c(cccc1C(C)C)C(C)C)C.N#CC
• Title of publication: Aluminum Alkyl-Mediated Route to NovelN,N,O-Chelates for Five-Coordinate Iron(II) Chloride Complexes: Synthesis, Structures, and Ethylene Polymerization Studies
• Authors of publication: Gibson, Vernon C.; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 5119
• a: 12.481 ± 0.002 Å
• b: 12.229 ± 0.002 Å
• c: 18.486 ± 0.003 Å
• α: 90°
• β: 109.22 ± 0.02°
• γ: 90°
• Cell volume: 2664.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1506
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections: 0.169
• Weighted residual factors for significantly intense reflections: 0.1278
• Goodness-of-fit parameter for all reflections: 0.99
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No