Information card for entry 7012968

Structure parameters

• Formula: C19 H30 Cl2 Fe N2
• Calculated formula: C19 H30 Cl2 Fe N2
• SMILES: [Fe]1(Cl)(Cl)[n]2c(cccc2C=[N]1C1CCCCCCCCCCC1)C
• Title of publication: Iron complexes bearing iminopyridine and aminopyridine ligands as catalysts for atom transfer radical polymerisation
• Authors of publication: Gibson, Vernon C.; O'Reilly, Rachel K.; Wass, Duncan F.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2824
• a: 8.1768 ± 0.0019 Å
• b: 13.524 ± 0.002 Å
• c: 37.608 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4158.8 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No