Information card for entry 7017778

Structure parameters

• Formula: C14 H22 N4 O3 Pd
• Calculated formula: C14 H22 N4 O3 Pd
• SMILES: [Pd]12(c3c(C(=N1=O)C)ccc(N(=O)=O)c3)[N](CC[N]2(C)C)(C)C
• Title of publication: A systematic study on the synthesis, reactivity and structure of ortho-palladated aryloximes, including the first cyclopalladated aryloximato and iminoaryloxime complexes.
• Authors of publication: Vicente, José; Chicote, María-Teresa; Abellán-López, Antonio; Bautista, Delia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 752 - 762
• a: 8.4822 ± 0.0008 Å
• b: 11.5612 ± 0.0011 Å
• c: 15.6484 ± 0.0015 Å
• α: 90°
• β: 90.517 ± 0.002°
• γ: 90°
• Cell volume: 1534.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0248
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No