Information card for entry 4087769

Structure parameters

• Formula: C20 H21 Cl N4 O2 Pd
• Calculated formula: C20 H21 Cl N4 O2 Pd
• SMILES: c1cccc2CN3C(=O)C[n+]4c(cn(Cc5cc(ccc5)OC)c4C)[Pd]3(Cl)[n]12
• 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: 8.8861 ± 0.0006 Å
• b: 12.432 ± 0.0008 Å
• c: 17.2003 ± 0.0011 Å
• α: 90°
• β: 93.214 ± 0.005°
• γ: 90°
• Cell volume: 1897.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.405
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No