Information card for entry 7051246

Structure parameters

• Formula: C56 H58 Cl4 N4 O5 P4 Pd2
• Calculated formula: C56 H58 Cl4 N4 O5 P4 Pd2
• SMILES: [Pd]12([P](c3ccccc3)(c3ccccc3)N(C(=O)N1C)C)[P](c1ccccc1)(c1ccccc1)O[Pd]1([P](c3ccccc3)(c3ccccc3)N(C(=O)N1C)C)[P](c1ccccc1)(c1ccccc1)O2.C(Cl)Cl.C(Cl)Cl.O
• Title of publication: Phosphino-urea chemistry: preparation and structure of chelate and P‒N bond cleavage complexes
• Authors of publication: Slawin, Alexandra M. Z.; Wainwright, Matthew; Derek Woollins, J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 2
• Pages of publication: 69
• a: 11.6946 ± 0.0003 Å
• b: 15.4866 ± 0.0004 Å
• c: 18.5407 ± 0.0003 Å
• α: 76.184 ± 0.001°
• β: 71.834 ± 0.001°
• γ: 72.806 ± 0.001°
• Cell volume: 3007.91 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1503
• Weighted residual factors for significantly intense reflections: 0.113
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No