Information card for entry 7010820

Structure parameters

• Formula: C37 H42 Cl4 N2 O P2 Pd2
• Calculated formula: C37 H42 Cl4 N2 O P2 Pd2
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)N(CC)C(=O)N(CC)[P]1(c1ccccc1)c1ccccc1.[Pd]123(Cl)(Cl)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas
• Authors of publication: Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2724
• a: 14.2866 ± 0.0003 Å
• b: 27.6453 ± 0.0005 Å
• c: 9.7662 ± 0.0002 Å
• α: 90°
• β: 92.632 ± 0.001°
• γ: 90°
• Cell volume: 3853.16 ± 0.13 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: 0.1178
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.1472
• Weighted residual factors for significantly intense reflections: 0.1041
• Goodness-of-fit parameter for all reflections: 0.969
• Goodness-of-fit parameter for significantly intense reflections: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No