Information card for entry 7051244

Structure parameters

• Formula: C27 H26 Cl2 N2 O P2 Pd
• Calculated formula: C27 H26 Cl2 N2 O P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)N(C(=O)N([P]1(c1ccccc1)c1ccccc1)C)C
• 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: 9.9076 ± 0.0001 Å
• b: 14.6999 ± 0.0002 Å
• c: 19.0506 ± 0.0002 Å
• α: 90°
• β: 101.7°
• γ: 90°
• Cell volume: 2716.9 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.0576
• Goodness-of-fit parameter for all reflections: 0.964
• Goodness-of-fit parameter for significantly intense reflections: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No