Information card for entry 4349785

Structure parameters

• Formula: C40 H34 Cl2 O P2 Pd
• Calculated formula: C40 H34 Cl2 O P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](CC[P+](C1C(=O)c1ccc(c2ccccc2)cc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Mononuclear palladium(ii) and platinum(ii) complexes of P,C-donor ligands: synthesis, crystal structures, cytotoxicity, and mechanistic studies of a highly stereoselective Mizoroki‒Heck reaction
• Authors of publication: Sabounchei, Seyyed Javad; Hosseinzadeh, Marjan; Salehzadeh, Sadegh; Maleki, Farahnaz; Gable, Robert W.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 2107
• a: 15.429 ± 0.0002 Å
• b: 16.4777 ± 0.0003 Å
• c: 27.0274 ± 0.0005 Å
• α: 90°
• β: 90.6167 ± 0.0015°
• γ: 90°
• Cell volume: 6870.9 ± 0.2 ų
• Cell temperature: 129.99 ± 0.1 K
• Ambient diffraction temperature: 129.99 ± 0.1 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: 0.0793
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No