Information card for entry 7017777

Structure parameters

• Formula: C44 H38 Cl2 N2 O P2 Pd
• Calculated formula: C44 H38 Cl2 N2 O P2 Pd
• SMILES: [Pd]1(c2c(C(=[N]1O)C)cccc2)(Cl)Cl.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.4042 ± 0.0004 Å
• b: 13.5259 ± 0.0006 Å
• c: 13.7681 ± 0.0006 Å
• α: 90°
• β: 101.603 ± 0.002°
• γ: 90°
• Cell volume: 1897.94 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No