Information card for entry 4322013

Structure parameters

• Formula: C78 H62 Cl4 Hg O10 P4 Pd2
• Calculated formula: C78 H62 Cl4 Hg O10 P4 Pd2
• SMILES: c12ccccc1[P+](c1ccccc1)(c1ccccc1)[C@H]1C(=O)[C@@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)[Hg][C@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)[C@@H]3[P+](c4c(cccc4)[Pd]43[Cl][Pd]21[Cl]4)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.c12ccccc1[P+](c1ccccc1)(c1ccccc1)[C@@H]1C(=O)[C@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)[Hg][C@@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)[C@H]3[P+](c4c(cccc4)[Pd]43[Cl][Pd]21[Cl]4)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Reactivity of Palladium(II) Complexes Containing the Orthometalated C,C-Chelating Ligand C6H4-2-PPh2C(H)COCH2PPh3 toward Deprotonating Reagents
• Authors of publication: Larry R. Falvello; Susana Fernández; Rafael Navarro; Esteban P. Urriolabeitia
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2455 - 2463
• a: 20.205 ± 0.003 Å
• b: 11.7529 ± 0.0009 Å
• c: 30.905 ± 0.003 Å
• α: 90°
• β: 90.333 ± 0.01°
• γ: 90°
• Cell volume: 7338.8 ± 1.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No