Information card for entry 7014137

Structure parameters

• Formula: C16 H28 Cl4 Fe2 N2 O4
• Calculated formula: C16 H28 Cl4 Fe2 N2 O4
• SMILES: CC1(C)[O]2[Fe]3(Cl)(Cl)[N]4=C(C(C)(C)[O]3[Fe]2([N]2=C1OCC2(C)C)(Cl)Cl)OCC4(C)C
• Title of publication: Nickel and iron complexes with oxazoline- or pyridine-phosphonite ligands; synthesis, structure and application for the catalytic oligomerisation of ethylene.
• Authors of publication: Speiser, Fredy; Braunstein, Pierre; Saussine, Lucien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1539 - 1545
• a: 12.5227 ± 0.0003 Å
• b: 9.4272 ± 0.0002 Å
• c: 20.3311 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2400.17 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No