Information card for entry 7039219

Structure parameters

• Formula: C60.83 H69 Fe2 N4 O4
• Calculated formula: C60.8333 H68.9999 Fe2 N4 O4
• 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: 34.0413 ± 0.0013 Å
• b: 15.5968 ± 0.0006 Å
• c: 20.4395 ± 0.0007 Å
• α: 90°
• β: 98.031 ± 0.003°
• γ: 90°
• Cell volume: 10745.6 ± 0.7 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: 0.0819
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No