Information card for entry 4319896

Structure parameters

• Common name: [FeL3](ClO4)2
• Formula: C40 H30 Cl2 Fe2 N4 O12
• Calculated formula: C40 H30 Cl2 Fe2 N4 O12
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]2[Fe]27891456[c]1([cH]2[cH]7[cH]8[cH]91)C1=[O][Fe]245([O]=C3OCc3ccc6ccc7ccc(C)[n]4c7c6[n]23)[n]2c(CO1)ccc1ccc3ccc([n]5c3c21)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Iron(II) Complexes Containing a Ferrocenyl Framework Attached to 2,2'-bipyridine or 1,10-phenanthroline Subunits: Formation of Stable Fe-bis(2,2'-bipyridine)-like and Fe-bis(1,10-phenanthroline)-like Complexes
• Authors of publication: Ana Ion; Jean-Claude Moutet; Eric Saint-Aman; Guy Royal; Sophie Tingry; Jacques Pecaut; Stephane Menage; Raymond Ziessel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3632 - 3636
• a: 20.1487 ± 0.0014 Å
• b: 15.9302 ± 0.001 Å
• c: 12.9045 ± 0.0009 Å
• α: 90°
• β: 116.549 ± 0.001°
• γ: 90°
• Cell volume: 3705.2 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No