Information card for entry 7011012

Structure parameters

• Formula: C48 H54 F6 Fe N3 O2 Sb
• Calculated formula: C48 H54 F6 Fe N3 O2 Sb
• SMILES: [Fe]123([O]=C(C=C(O1)c1ccccc1)c1ccccc1)[n]1c(cccc1C(=[N]3c1c(cccc1C(C)C)C(C)C)C)C(=[N]2c1c(cccc1C(C)C)C(C)C)C.[Sb](F)(F)(F)(F)(F)[F-]
• 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: 12.4639 ± 0.0012 Å
• b: 17.1447 ± 0.0005 Å
• c: 21.5722 ± 0.0012 Å
• α: 90°
• β: 90.439 ± 0.007°
• γ: 90°
• Cell volume: 4609.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.127
• Weighted residual factors for significantly intense reflections: 0.1157
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No