Information card for entry 4064732

Structure parameters

• Formula: C53 H49 Cl9 P4 Pd2
• Calculated formula: C53 H45 Cl9 P4 Pd2
• SMILES: [Pd]1([P](C[P+]([C@@H]1[P+](C[P]([Pd](Cl)(Cl)Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: The First Carbodiphosphorane Complex with Two Palladium Centers Attached to the CDP Carbon: Assembly of a Single-Stranded di-Pd Helicate by the PCP Pincer ligand C(dppm)2
• Authors of publication: Reitsamer, Christian; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Ellmerer, Ernst P.; Peringer, Paul
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4220
• a: 12.9599 ± 0.0004 Å
• b: 16.8199 ± 0.0005 Å
• c: 13.9015 ± 0.0006 Å
• α: 90°
• β: 104.255 ± 0.002°
• γ: 90°
• Cell volume: 2937 ± 0.18 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No