Information card for entry 4078280

Structure parameters

• Formula: C24.5 H25.5 Cl3.5 N3 Pd
• Calculated formula: C24.5 H25.5 Cl3.5 N3 Pd
• SMILES: [Pd]1(=C(Nc2c(cccc2C)C)c2c(NC=1Nc1c(cccc1C)C)cccc2)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis of Palladium(II), -(III), and -(IV) Complexes with Acyclic Diaminocarbene Ligands
• Authors of publication: Mart\?ínez-Mart\?ínez, Antonio-Jesús; Chicote, María-Teresa; Bautista, Delia; Vicente, José
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3711
• a: 12.9318 ± 0.0011 Å
• b: 14.0685 ± 0.0012 Å
• c: 14.8638 ± 0.0013 Å
• α: 77.926 ± 0.002°
• β: 87.072 ± 0.002°
• γ: 67.016 ± 0.002°
• Cell volume: 2433 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No