Information card for entry 7111494

Structure parameters

• Common name: Fe(ii)/binaphthyl bis(phenanthrenolate)imine
• Chemical name: Fe(II)/binaphthyl bis(phenanthrenolate)imine
• Formula: C51 H32 Cl2 Fe N2 O2
• Calculated formula: C51 H32 Cl2 Fe N2 O2
• SMILES: C(Cl)Cl.[Fe]123[N](c4c(c5c(cc4)cccc5)c4c([N]1=Cc1c(O3)c3c(cc1)ccc1ccccc31)ccc1ccccc41)=Cc1c(O2)c2c(cc1)ccc1ccccc21
• Title of publication: Iron(ii) and zinc(ii) monohelical binaphthyl salen complexes
• Authors of publication: Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 37
• Pages of publication: 4693 - 4695
• a: 13.1443 ± 0.0012 Å
• b: 16.4557 ± 0.0015 Å
• c: 18.9601 ± 0.0017 Å
• α: 99.736 ± 0.006°
• β: 104.006 ± 0.006°
• γ: 94.156 ± 0.004°
• Cell volume: 3894.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1632
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No