Information card for entry 4341849

Structure parameters

• Formula: C64 H58 Cl10 N2 P4 Pd
• Calculated formula: C64 H58 Cl10 N2 P4 Pd
• SMILES: C(Cl)Cl.C(Cl)Cl.[Cl-].[Pd]12([P](C(=c3cc[nH]cc3)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C(=c1cc[nH]cc1)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[Cl-]
• Title of publication: Synthesis, Structure, and Optical Properties of Pt(II) and Pd(II) Complexes with Oxazolyl- and Pyridyl-Functionalized DPPM-Type Ligands: A Combined Experimental and Theoretical Study.
• Authors of publication: Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre; De Cola, Luisa; Plummer, Edward; Mauro, Matteo; Gourlaouen, Christophe; Daniel, Chantal
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141124111704004
• a: 11.7472 ± 0.0005 Å
• b: 18.3989 ± 0.0008 Å
• c: 15.4885 ± 0.0006 Å
• α: 90°
• β: 102.738 ± 0.002°
• γ: 90°
• Cell volume: 3265.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1013
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No