Information card for entry 4075451

Structure parameters

• Common name: [PdCl(PCP-Ph)].2DMF
• Formula: C36 H39 Cl N4 O2 P2 Pd
• Calculated formula: C36 H39 Cl N4 O2 P2 Pd
• SMILES: [Pd]12(Cl)[P](Nc3c2c(N[P]1(c1ccccc1)c1ccccc1)ccc3)(c1ccccc1)c1ccccc1.O=CN(C)C.O=CN(C)C
• Title of publication: A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes
• Authors of publication: Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3817
• a: 12.9104 ± 0.0006 Å
• b: 14.3253 ± 0.0006 Å
• c: 18.6546 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3450.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No