Information card for entry 7003659

Structure parameters

• Formula: C58 H50 Cl12 N2 O6 P2 Pd2
• Calculated formula: C56 H48 Cl6 N2 O6 P2 Pd2
• SMILES: [Pd]12(OC(=CC(=[O]1)C)C)c1ccccc1P(c3ccccc3)(c3ccccc3)=[N]2C(=O)c1ccccc1C(=O)[N]([Pd]1(OC(=CC(=[O]1)C)C)c1c2cccc1)=P2(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis and structure of tetranuclear orthometallated Pd(ii) complexes derived from bis-iminophosphoranes
• Authors of publication: Bielsa, Raquel; Navarro, Rafael; Soler, Tatiana; Urriolabeitia, Esteban P.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1787 - 1794
• a: 15.64371 ± 0.00014 Å
• b: 29.8167 ± 0.0003 Å
• c: 13.64503 ± 0.00009 Å
• α: 90°
• β: 90.1952 ± 0.0007°
• γ: 90°
• Cell volume: 6364.6 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No