Information card for entry 4341800

Structure parameters

• Formula: C22 H32 Cl2 N4 Pd
• Calculated formula: C22 H32 Cl2 N4 Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2c3cccc2CN(Cc2[n]1c(ccc2)CN(C3)C(C)(C)C)C(C)(C)C
• 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: 18.9253 ± 0.0009 Å
• b: 9.2861 ± 0.0005 Å
• c: 12.7839 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2246.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No