Information card for entry 4070952

Structure parameters

• Formula: C18 H17 Cl N2 O Pd
• Calculated formula: C18 H17 Cl N2 O Pd
• SMILES: [Pd]1(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)(Cl)C#[O]
• Title of publication: Synthesis, Characterization, and Reactivity of a Versatile Dinuclear Palladium β-Diiminate Complex
• Authors of publication: Hadzovic, Alen; Song, Datong
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1290
• a: 9.3629 ± 0.0005 Å
• b: 10.1302 ± 0.0006 Å
• c: 20.1619 ± 0.0012 Å
• α: 97.107 ± 0.004°
• β: 93.707 ± 0.003°
• γ: 114.448 ± 0.003°
• Cell volume: 1713.21 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No