Information card for entry 4346966

Structure parameters

• Formula: C32 H50 B2 F8 Fe N6
• Calculated formula: C32 H50 B2 F8 Fe N6
• SMILES: [B](F)(F)(F)[F-].[c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)Nc1n(c(c([n+]1C(C)C)C)C)C(C)C)Nc1n(c(c([n+]1C(C)C)C)C)C(C)C.[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: 9.5417 ± 0.0002 Å
• b: 13.5415 ± 0.0003 Å
• c: 13.9601 ± 0.0003 Å
• α: 90°
• β: 96.172 ± 0.002°
• γ: 90°
• Cell volume: 1793.31 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKαα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No