Information card for entry 4070749

Structure parameters

• Formula: C40 H48 Cl2 P2 Pd2
• Calculated formula: C40 H48 Cl2 P2 Pd2
• SMILES: C1(=C(c2ccccc2)[Pd]2([P]1(C(C)C)C(C)C)[Cl][Pd]1(C(=C(c3ccccc3)[P]1(C(C)C)C(C)C)c1ccccc1)[Cl]2)c1ccccc1
• Title of publication: Synthesis and Characterization of Novel Four-Membered Palladacycles
• Authors of publication: Yan, Xiaoyu; Xi, Chanjuan
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 152
• a: 9.2167 ± 0.0003 Å
• b: 12.9557 ± 0.0005 Å
• c: 16.6165 ± 0.0006 Å
• α: 90°
• β: 95.89 ± 0.002°
• γ: 90°
• Cell volume: 1973.68 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No