Information card for entry 4341798

Structure parameters

• Formula: C28 H38 F6 N6 O6 Pd S2
• Calculated formula: C28 H38 F6 N6 O6 Pd S2
• SMILES: [Pd]1([n]2c3CN(Cc4[n]1c(CN(Cc2ccc3)C(C)(C)C)ccc4)C(C)(C)C)([N]#CC)[N]#CC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.
• Authors of publication: Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141126065928000
• a: 11.1023 ± 0.0006 Å
• b: 16.3529 ± 0.0009 Å
• c: 19.2998 ± 0.0011 Å
• α: 90°
• β: 95.38 ± 0.003°
• γ: 90°
• Cell volume: 3488.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No