Information card for entry 4346977

Structure parameters

• Formula: C52.5 H69 B2 Cl F8 Fe N6 O0.5 P Pd
• Calculated formula: C50 H63 B2 F8 Fe N6 P Pd
• 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: 19.7186 ± 0.0004 Å
• b: 12.9172 ± 0.0002 Å
• c: 21.8301 ± 0.0004 Å
• α: 90°
• β: 93.138 ± 0.002°
• γ: 90°
• Cell volume: 5551.99 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No