Information card for entry 4346968

Structure parameters

• Formula: C32 H48 Cl2 Fe N6 Pd
• Calculated formula: C32 H48 Cl2 Fe N6 Pd
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]9[cH]8[cH]7[cH]12)[N]([Pd](Cl)([N]3=C1N(C(=C(N1C(C)C)C)C)C(C)C)Cl)=C1N(C(=C(N1C(C)C)C)C)C(C)C
• 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: 9.5888 ± 0.0004 Å
• b: 14.2461 ± 0.0007 Å
• c: 12.1046 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1653.52 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No