Information card for entry 7010613

Structure parameters

• Formula: C25 H28 Cl2 Fe N6
• Calculated formula: C25 H28 Cl2 Fe N6
• SMILES: [Fe]12(Cl)(Cl)[n]3c(cccc3C(=[N]2N(C)c2ccccc2)C)C(=[N]1N(C)c1ccccc1)C.N#CC
• Title of publication: Bis(imino)pyridyl iron and cobalt complexes: the effect of nitrogen substituents on ethylene oligomerisation and polymerisation
• Authors of publication: Britovsek, George J. P.; Gibson, Vernon C.; Kimberley, Brian S.; Mastroianni, Sergio; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 10
• Pages of publication: 1639
• a: 13.7288 ± 0.0011 Å
• b: 13.2768 ± 0.0007 Å
• c: 15.059 ± 0.002 Å
• α: 90°
• β: 101.81 ± 0.014°
• γ: 90°
• Cell volume: 2686.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0795
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.1479
• Weighted residual factors for significantly intense reflections: 0.1284
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No