Information card for entry 4071555

Structure parameters

• Formula: C24 H30 Cl2 N6 O2 Pd
• Calculated formula: C24 H30 Cl2 N6 O2 Pd
• SMILES: c1(c2ccccc2)[nH]cc[n]1[Pd]([n]1c(c2ccccc2)[nH]cc1)(Cl)Cl.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: 2-Phenylimidazole−PdCl2and 2-Phenylimidazoline−PdCl2Complexes: Single-Crystal and Powder X-ray Diffractometry,1H NMR Spectra, and Comparison of Catalytic Activities in Coupling Reactions†
• Authors of publication: Kawamura, Kenjiro; Haneda, Satoshi; Gan, Zhibin; Eda, Kazuo; Hayashi, Masahiko
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3748
• a: 10.646 ± 0.0015 Å
• b: 9.0631 ± 0.0013 Å
• c: 14.374 ± 0.002 Å
• α: 90°
• β: 105.509 ± 0.002°
• γ: 90°
• Cell volume: 1336.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No