Information card for entry 4346967

Structure parameters

• Formula: C32 H48 Cl2 Fe N6 Ni
• Calculated formula: C32 H48 Cl2 Fe N6 Ni
• SMILES: [Fe]123456789[c]%10([N]([Ni](Cl)(Cl)[N]([c]%115[cH]9[cH]8[cH]7[cH]6%11)=C5N(C(=C(N5C(C)C)C)C)C(C)C)=C5N(C(=C(N5C(C)C)C)C)C(C)C)[cH]1[cH]2[cH]3[cH]4%10
• Title of publication: Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.
• Authors of publication: Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 12032 - 12045
• a: 9.6664 ± 0.0004 Å
• b: 12.2399 ± 0.0004 Å
• c: 14.2305 ± 0.0005 Å
• α: 87.229 ± 0.003°
• β: 79.769 ± 0.003°
• γ: 88.964 ± 0.003°
• Cell volume: 1654.91 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No