Information card for entry 7037243

Structure parameters

• Chemical name: Dichlorido[1,1'-(pyridine-2,6-diyl)bis{N-[2-methyl-6-(pentan-3-yl)phenyl]ethane-1-imine}]iron
• Formula: C35 H47 Cl6 Fe N3
• Calculated formula: C35 H47 Cl6 Fe N3
• SMILES: ClCCl.ClCCl.[Fe]12(Cl)(Cl)[N](=C(c3[n]2c(C(=[N]1c1c(C)cccc1C(CC)CC)C)ccc3)C)c1c(C)cccc1C(CC)CC
• Title of publication: Iron-catalysed homo- and copolymerisation of propylene: steric influence of bis(imino)pyridine ligands.
• Authors of publication: Kawakami, Takafumi; Ito, Shingo; Nozaki, Kyoko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20745 - 20752
• a: 10.126 ± 0.006 Å
• b: 15.208 ± 0.009 Å
• c: 25.208 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3882 ± 4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No