Information card for entry 7028231

Structure parameters

• Formula: C28 H28 Cl N2 O P Pd
• Calculated formula: C28 H28 Cl N2 O P Pd
• SMILES: [Pd]1(c2c(C(=[N]1O)N)cccc2)(Cl)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• 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: 11.8915 ± 0.0008 Å
• b: 15.4151 ± 0.0011 Å
• c: 14.5332 ± 0.0011 Å
• α: 90°
• β: 93.245 ± 0.002°
• γ: 90°
• Cell volume: 2659.8 ± 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: 0.0263
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No