Information card for entry 4072757

Structure parameters

• Formula: C40 H38 Cl6 N6 O4 Pd
• Calculated formula: C40 H38 Cl6 N6 O4 Pd
• SMILES: C12N(C=CN1CC(=O)N(c1ccccc1)[Pd]1=2=C2N(C=CN2CC(=O)N1c1ccccc1)Cc1ccc(cc1)OC)Cc1ccc(cc1)OC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Nonchelate and Chelate Complexes of Palladium(II) with N-Heterocyclic Carbene Ligands of Amido Functionality
• Authors of publication: Liao, Chuang-Yi; Chan, Kai-Ting; Zeng, Jing-Yao; Hu, Ching-Han; Tu, Cheng-Yi; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1692
• a: 9.4368 ± 0.0003 Å
• b: 10.2941 ± 0.0003 Å
• c: 13.0276 ± 0.0004 Å
• α: 70.192 ± 0.002°
• β: 75.905 ± 0.002°
• γ: 63.195 ± 0.001°
• Cell volume: 1056.51 ± 0.06 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: 0.0621
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No