Information card for entry 7011368

Structure parameters

• Formula: C25 H26 Cl N2 O P Pd
• Calculated formula: C25 H26 Cl N2 O P Pd
• SMILES: [Pd]12([N](N=C(O2)c2ccccc2)=C(C(C)(C)C)C[P]1(c1ccccc1)c1ccccc1)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: 19.4346 ± 0.0008 Å
• b: 9.6142 ± 0.0006 Å
• c: 12.4346 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2323.38 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0161
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No