Information card for entry 7028233

Structure parameters

• Formula: C34 H33 Cl N3 O5 P Pd
• Calculated formula: C34 H33 Cl N3 O5 P Pd
• SMILES: [Pd]12(c3c(C(=[N]1OCc1[n]2cccc1)N)cccc3)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Cyclopalladated complexes derived from benzamidoxime.
• Authors of publication: Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 592 - 598
• a: 9.4517 ± 0.0009 Å
• b: 11.4744 ± 0.0011 Å
• c: 14.6828 ± 0.0014 Å
• α: 101.775 ± 0.002°
• β: 93.311 ± 0.002°
• γ: 94.011 ± 0.002°
• Cell volume: 1550.8 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No