Information card for entry 7012253

Structure parameters

• Formula: C30 H30 Cl6 N2 P2 Pd
• Calculated formula: C30 H30 Cl6 N2 P2 Pd
• SMILES: [Pd]1([P](CCP(c2ccccc2)(c2ccccc2)=[N]1CC#N)(c1ccccc1)c1ccccc1)(Cl)Cl.ClCCl.ClCCl
• Title of publication: Synthesis and molecular structure of a new class of bi- and ter-dentate palladium complexes with iminophosphorane containing ligandsElectronic supplementary information (ESI) available: ligand synthesis details. See http://www.rsc.org/suppdata/dt/b2/b209242e/
• Authors of publication: Alajarín, Mateo; López-Leonardo, Carmen; Llamas-Lorente, Pilar; Bautista, Delia; Jones, Peter G.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 426
• a: 13.6655 ± 0.0012 Å
• b: 22.307 ± 0.002 Å
• c: 22.333 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6807.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for all reflections: 0.835
• Goodness-of-fit parameter for significantly intense reflections: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No