Information card for entry 4075924

Structure parameters

• Formula: C27.5 H39.5 Cl14.5 N2 P2 Pd2
• Calculated formula: C27 H39 Cl13 N2 P2 Pd2
• SMILES: [Pd]1([P](C=[N+](C)C)(c2c(cc(cc2C)C)C)[Pd]([P]1(C=[N+](C)C)c1c(cc(cc1C)C)C)(Cl)Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Coordination Chemistry of Inversely Polarized Phosphaalkenes toward Group 10 Metal Centers
• Authors of publication: Boubekeur, Leïla; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3856
• a: 12.151 ± 0.001 Å
• b: 16.803 ± 0.001 Å
• c: 22.697 ± 0.001 Å
• α: 90°
• β: 100.89 ± 0.001°
• γ: 90°
• Cell volume: 4550.7 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No