Information card for entry 4063284

Structure parameters

• Formula: C32 H40 Cl2 P2 Pd
• Calculated formula: C32 H39 Cl2 P2 Pd
• SMILES: C12c3c4cccc3C(c3c1c(ccc3)[P](C(C)C)(C(C)C)[Pd](Cl)(Cl)[P]4(C(C)C)C(C)C)c1c2cccc1
• Title of publication: Palladium Complexes Bearing Novel Strongly Bent Trans-Spanning Diphosphine Ligands: Synthesis, Characterization, and Catalytic Activity
• Authors of publication: Olga Grossman; Clarit Azerraf; Dmitri Gelman
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 375 - 381
• a: 12.7444 ± 0.0012 Å
• b: 11.987 ± 0.0011 Å
• c: 19.6856 ± 0.0018 Å
• α: 90°
• β: 95.124 ± 0.002°
• γ: 90°
• Cell volume: 2995.3 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0291
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No