Information card for entry 4346970

Structure parameters

• Formula: C36 H57.5 Cl3 Fe N7 O1.25 Pd
• Calculated formula: C34.5 H54 Cl3 Fe N7 O Pd
• SMILES: [Pd]12([Fe]3456789%10([c]%11([cH]8[cH]7[cH]6[cH]5%11)[N]1=C1N(C(=C(N1C(C)C)C)C)C(C)C)[c]1([cH]9[cH]%10[cH]3[cH]41)[N]2=C1N(C(=C(N1C(C)C)C)C)C(C)C)Cl.[Cl-].C(Cl)Cl.O=C(N)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: 9.6782 ± 0.0004 Å
• b: 21.1518 ± 0.0008 Å
• c: 21.77 ± 0.0008 Å
• α: 111.667 ± 0.004°
• β: 93.573 ± 0.004°
• γ: 101.669 ± 0.004°
• Cell volume: 4009.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No