Information card for entry 4346969

Structure parameters

• Formula: C35 H51 Cl11 Fe N6 Pd
• Calculated formula: C35 H51 Cl11 Fe N6 Pd
• SMILES: [Fe]123456789%10[Pd](Cl)([N]([c]%111[cH]2[cH]3[cH]4[cH]5%11)=C1N(C(=C(N1C(C)C)C)C)C(C)C)[N]([c]16[cH]%10[cH]9[cH]8[cH]71)=C1N(C(=C(N1C(C)C)C)C)C(C)C.[Cl-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(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: 18.8777 ± 0.0005 Å
• b: 10.1815 ± 0.0003 Å
• c: 25.2671 ± 0.0007 Å
• α: 90°
• β: 108.393 ± 0.003°
• γ: 90°
• Cell volume: 4608.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No