Information card for entry 4341801

Structure parameters

• Formula: C24 H35 Cl3 N5 O4 Pd
• Calculated formula: C24 H35 Cl3 N5 O4 Pd
• SMILES: [Pd]123(Cl)(Cl)[n]4c5cccc4C[N]2(Cc2[n]1c(ccc2)C[N]3(C5)C(C)(C)C)C(C)(C)C.Cl(=O)(=O)(=O)[O-].N#CC
• 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: 13.6859 ± 0.0008 Å
• b: 13.3134 ± 0.0008 Å
• c: 30.043 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5474 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No