Information card for entry 7029359

Structure parameters

• Formula: C39 H30 F3 N3 O5 Pd
• Calculated formula: C39 H30 F3 N3 O5 Pd
• SMILES: c1ccccc1C[N]12CC(=O)N3[Pd]2([O]=C(c2c3cccc2)c2ccc(cc2)OC)N(C(=O)C1)c1ccccc1C(=O)c1ccccc1C(F)(F)F
• Title of publication: Substituent-controlled preference of carbonyl group-metal coordination in d(8) metal complexes with non-symmetric pentadentate ligands. Structural and stereochemical aspects.
• Authors of publication: Han, Jianlin; Ono, Taizo; Uekusa, Hidehiro; Klika, Karel D.; Soloshonok, Vadim A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 14
• Pages of publication: 5375 - 5381
• a: 10.9428 ± 0.0002 Å
• b: 23.9074 ± 0.0004 Å
• c: 26.1834 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6849.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0997
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No