Information card for entry 7032174

Structure parameters

• Formula: C32 H25 F6 Fe N7 O6 S2
• Calculated formula: C32 H25 F6 Fe N7 O6 S2
• SMILES: [Fe]12345[n]6c(cccc6)C=[N]1c1c(cccc1)[NH]2C(Nc1c(cccc1)[N]4=Cc1cccc[n]31)c1cccc[n]51.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Anion-controlled formation of an aminal-(bis)imine Fe(ii)-complex.
• Authors of publication: Giri, Chandan; Topić, Filip; Mal, Prasenjit; Rissanen, Kari
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15697 - 15699
• a: 9.2055 ± 0.0003 Å
• b: 11.5244 ± 0.0004 Å
• c: 16.9127 ± 0.0005 Å
• α: 100.554 ± 0.002°
• β: 93.752 ± 0.002°
• γ: 100.521 ± 0.0018°
• Cell volume: 1725.13 ± 0.1 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No