Information card for entry 7039216

Structure parameters

• Formula: C18 H33 Fe N3 O2 Si2
• Calculated formula: C18 H33 Fe N3 O2 Si2
• SMILES: [Fe]12(OC(=CC(=[N]1Cc1[n]2ccc(OC)c1)C)C)N([Si](C)(C)C)[Si](C)(C)C
• 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: 8.8657 ± 0.0006 Å
• b: 10.8724 ± 0.0006 Å
• c: 12.2568 ± 0.0005 Å
• α: 90.425 ± 0.004°
• β: 100.153 ± 0.005°
• γ: 97.601 ± 0.005°
• Cell volume: 1152.16 ± 0.11 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No