Information card for entry 4346965

Structure parameters

• Formula: C32 H48 Fe N6
• Calculated formula: C32 H48 Fe N6
• SMILES: [cH]12[c]3([Fe]4567892([cH]1[cH]6[cH]38)[c]1([cH]4[cH]5[cH]7[cH]91)N=C1N(C(=C(N1C(C)C)C)C)C(C)C)N=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: 10.5763 ± 0.0004 Å
• b: 10.8603 ± 0.0003 Å
• c: 12.8858 ± 0.0004 Å
• α: 90°
• β: 99.145 ± 0.003°
• γ: 90°
• Cell volume: 1461.27 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No