Information card for entry 7039220

Structure parameters

• Formula: C62.38 H57 Fe2 N4 O4
• Calculated formula: C58 H52 Fe2 N4 O4
• SMILES: [Fe]123(OC(=CC(=[N]2Cc2[n]3cccc2)C)C)[O]([Fe]23([O]1C(=CC(=[N]2Cc1[n]3cccc1)C)C)Oc1c(c2ccccc2)cccc1c1ccccc1)c1c(c2ccccc2)cccc1c1ccccc1
• Title of publication: Iron(ii) β-ketiminate complexes as mediators of controlled radical polymerisation.
• Authors of publication: Lake, Benjamin R. M.; Shaver, Michael P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15840 - 15849
• a: 12.7953 ± 0.0002 Å
• b: 14.0417 ± 0.0003 Å
• c: 30.0899 ± 0.0006 Å
• α: 90°
• β: 91.268 ± 0.0017°
• γ: 90°
• Cell volume: 5404.86 ± 0.18 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.086
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No