Information card for entry 7011007

Structure parameters

• Formula: C35 H49 Cl5 F6 Fe N3 O Sb
• Calculated formula: C35 H47 Cl5 F6 Fe N3 O Sb
• SMILES: [Fe]12(Cl)([OH2])[n]3c(cccc3C(=[N]2c2c(cccc2C(C)C)C(C)C)C)C(=[N]1c1c(cccc1C(C)C)C(C)C)C.[Sb](F)(F)(F)([F-])(F)F.C(Cl)Cl.C(Cl)Cl
• Title of publication: Cationic 2,6-bis(imino)pyridine iron and cobalt complexes: synthesis, structures, ethylene polymerisation and ethylene/polar monomer co-polymerisation studies
• Authors of publication: George J. P. Britovsek; Vernon C. Gibson; Stefan K. Spitzmesser; Kilian P. Tellmann; Andrew J. P. White; David J. Williams
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1159 - 1171
• a: 9.938 ± 0.002 Å
• b: 24.269 ± 0.003 Å
• c: 18.711 ± 0.004 Å
• α: 90°
• β: 104.9 ± 0.02°
• γ: 90°
• Cell volume: 4361.1 ± 1.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• 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: 0.1506
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections: 0.2526
• Weighted residual factors for significantly intense reflections: 0.1508
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No