Information card for entry 7011369

Structure parameters

• Formula: C55 H46 Cl2 N4 O2 P2 Pt
• Calculated formula: C55 H46 Cl2 N4 O2 P2 Pt
• SMILES: [Pd]12(N(C(=C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)N=C(c1ccccc1)O2)[P](c1ccccc1)(c1ccccc1)C/C(=N\NC(=O)c1ccccc1)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: 12.614 ± 0.002 Å
• b: 13.671 ± 0.002 Å
• c: 15.754 ± 0.003 Å
• α: 100.26 ± 0.009°
• β: 99.334 ± 0.009°
• γ: 110.682 ± 0.007°
• Cell volume: 2425.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No