Information card for entry 7011370

Structure parameters

• Formula: C51 H54 Cl2 N4 O2 P2 Pd
• Calculated formula: C51 H54 Cl2 N4 O2 P2 Pd
• SMILES: [Pd]12([P](c3ccccc3)(c3ccccc3)C=C(C(C)(C)C)NN1C(=O)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C=C(C(C)(C)C)NN2C(=O)c1ccccc1.C(Cl)Cl
• Title of publication: Uni-, bi- and ter-dentate complexes formed from PPh2CH2C(R)NNHC(O)Ph (R = But or Ph) and Pd or Pt: crystal structures of [PdCl{PPh2CH2C(But)NNC(Ph)O}], [Pt{PPh2CHC(Ph)NNC(Ph)O}{PPh2CH2C(Ph)NNHC(O)Ph}] and [Pd{PPh2CHC(But)NHNC(O)Ph}2]
• Authors of publication: Ahmad, Mustaffa; Perera, Sarath D.; Shaw, Bernard L.; Thornton-Pett, Mark
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1954
• a: 25.162 ± 0.002 Å
• b: 19.489 ± 0.002 Å
• c: 19.329 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9478.6 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No