Information card for entry 4346973

Structure parameters

• Formula: C34 H51 B2 D3 F8 Fe N7 Ni
• Calculated formula: C34 H51 B2 F8 Fe N7 Ni
• SMILES: [Fe]123456789%10[Ni]([N]([c]1%11[cH]5[cH]4[cH]3[cH]2%11)=C1N(C(=C(N1C(C)C)C)C)C(C)C)([N]([c]16[cH]7[cH]8[cH]9[cH]%101)=C1N(C(=C(N1C(C)C)C)C)C(C)C)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 17.1643 ± 0.0004 Å
• b: 17.159 ± 0.0005 Å
• c: 26.0656 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7676.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No