Information card for entry 7037242

Structure parameters

• Formula: C49 H75 Cl4 Fe2 N3 O
• Calculated formula: C49 H75 Cl4 Fe2 N3 O
• SMILES: [Fe]12(Cl)(O[Fe](Cl)(Cl)Cl)[N](=C(c3[n]1c(C(=[N]2c1c(cccc1C(CCC)CCC)C(CCC)CCC)C)ccc3)C)c1c(C(CCC)CCC)cccc1C(CCC)CCC
• 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: 16.951 ± 0.004 Å
• b: 22.374 ± 0.006 Å
• c: 13.224 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5015 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No