Information card for entry 7010614

Structure parameters

• Formula: C13 H21 Cl2 Fe N5
• Calculated formula: C13 H21 Cl2 Fe N5
• SMILES: [Fe]12(Cl)(Cl)[n]3c(cccc3C(=[N]2N(C)C)C)C(=[N]1N(C)C)C
• 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: 8.9087 ± 0.0006 Å
• b: 17.1327 ± 0.0012 Å
• c: 11.0544 ± 0.0006 Å
• α: 90°
• β: 94.074 ± 0.006°
• γ: 90°
• Cell volume: 1682.97 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.1306
• Weighted residual factors for significantly intense reflections: 0.1181
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No