Information card for entry 7050775

Structure parameters

• Formula: C31 H35 Br2 N O P2 Pd
• Calculated formula: C31 H35 Br2 N O P2 Pd
• SMILES: [Pd]12(Br)[P](c3ccccc3)(c3ccccc3)CC[NH]1CC[P]2(c1ccccc1)c1ccccc1.[Br-].CC(=O)C
• Title of publication: Reactivity of a cationic square-planar palladium(II) chloro complex containing bis[2-(diphenylphosphino)ethyl]amine: chloro substitutions by anionic ligands and formation of neutral digold(I) compounds possessing linear PAuX fragments. The X-Ray crystal structure of Au2[Ph2P(CH2)2N(NO)(CH2)2PPh2]Cl2
• Authors of publication: Inés García-Seijo, M.; Habtemariam, Abraha; Parsons, Simon; Gould, R. O.; Esther García-Fernández, M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 636
• a: 11.722 ± 0.004 Å
• b: 12.209 ± 0.004 Å
• c: 12.64 ± 0.004 Å
• α: 114.823 ± 0.013°
• β: 101.696 ± 0.019°
• γ: 98.816 ± 0.017°
• Cell volume: 1548.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No