Information card for entry 4320139

Structure parameters

• Formula: C47 H44.5 Cl2.5 N2 O4.5 P3 Pd
• Calculated formula: C47 H44.5 Cl2.5 N2 O4.5 P3 Pd
• SMILES: [Pd]123([P](CC[P]2(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N](=Nc1c3cccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].C(Cl)(Cl)Cl.OC
• Title of publication: Mono- and Dinuclear Five-coordinate Cyclometalated Palladium(II) Compounds
• Authors of publication: Margarita López-Torres; Alberto Fernández; Jesús J. Fernández; Antonio Suárez; M Teresa Pereira; Juan M. Ortigueira; José M. Vila; H. Adams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4583 - 4587
• a: 13.527 ± 0.006 Å
• b: 17.542 ± 0.005 Å
• c: 20.1 ± 0.006 Å
• α: 98.71 ± 0.01°
• β: 97.73 ± 0.03°
• γ: 100.22 ± 0.02°
• Cell volume: 4575 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections: 0.1987
• Weighted residual factors for significantly intense reflections: 0.1652
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No