Information card for entry 4346971

Structure parameters

• Formula: C66 H100 Cl10 Fe2 N12 Pd3
• Calculated formula: C66 H100 Cl10 Fe2 N12 Pd3
• SMILES: [Pd]12([Fe]3456789%10([c]%11([cH]3[cH]4[cH]6[cH]5%11)[N]1=C1N(C(=C(N1C(C)C)C)C)C(C)C)[c]1([cH]9[cH]%10[cH]8[cH]71)[N]2=C1N(C(=C(N1C(C)C)C)C)C(C)C)Cl.[Pd]12([Fe]3456789%10([c]%11([cH]5[cH]6[cH]3[cH]4%11)[N]1=C1N(C(=C(N1C(C)C)C)C)C(C)C)[c]1([cH]7[cH]8[cH]%10[cH]91)[N]2=C1N(C(=C(N1C(C)C)C)C)C(C)C)Cl.[Pd](Cl)(Cl)([Cl-])[Cl-].C(Cl)Cl.C(Cl)Cl
• 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: 9.5188 ± 0.0004 Å
• b: 21.3194 ± 0.0009 Å
• c: 21.5891 ± 0.0009 Å
• α: 64.701 ± 0.004°
• β: 77.45 ± 0.004°
• γ: 86.256 ± 0.003°
• Cell volume: 3864.5 ± 0.3 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: 0.0715
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No