Information card for entry 7012339

Structure parameters

• Formula: C34 H38 F6 Fe N6 O6 S2
• Calculated formula: C34 H38 F6 Fe N6 O6 S2
• SMILES: [Fe]1234([n]5c6ccccc6ccc5C=[N]1[C@@H]1CCCC[C@H]1[NH2]2)[n]1c2ccccc2ccc1C=[N]3[C@@H]1CCCC[C@H]1[NH2]4.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Bis-bidentate vs. bis-tridentate imino-heterocycle ligands in the formation of dinuclear helical complexes of Fe(ii)Electronic supplementary information (ESI) available: atomic positions, bond lengths and angles, anisotropic thermal parameters, hydrogen atom coordinates, data collection, and crystal parameters for all crystallographically characterized complexes; NMR spectra, including COSY, and CD spectra for ligand 3 and [FeII2(3)2]4+. See http://www.rsc.org/suppdata/dt/b2/b210137h/
• Authors of publication: Pallavicini, Piersandro; Amendola, Valeria; Diaz Fernandez, Yuri; Ghisalberti, Marco; Linati, Laura; Mangano, Carlo; Manotti Lanfredi, Anna; Massera, Chiara
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 575
• a: 10.825 ± 0.005 Å
• b: 18.356 ± 0.005 Å
• c: 19.223 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3820 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.77
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No