Information card for entry 4087768

Structure parameters

• Formula: C18 H17 Cl N4 O Pd
• Calculated formula: C18 H17 Cl N4 O Pd
• SMILES: c1n(cc2[n+]1CC(=O)N1Cc3cccc[n]3[Pd]21Cl)Cc1ccccc1
• Title of publication: Palladium Complexes with Tridentate N-Heterocyclic Carbene Ligands: Selective “Normal” and “Abnormal” Bindings and Their Anticancer Activities
• Authors of publication: Lee, Jing-Yi; Lee, Jhen-Yi; Chang, Yuan-Yu; Hu, Ching-Han; Wang, Nancy M.; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4359
• a: 22.2283 ± 0.0008 Å
• b: 22.2283 ± 0.0008 Å
• c: 20.4987 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8771.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No