Information card for entry 4083818

Structure parameters

• Formula: C18 H31 I O2 P2 Pd
• Calculated formula: C18 H31 I O2 P2 Pd
• SMILES: I[Pd]12[P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C
• Title of publication: PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route
• Authors of publication: Kimura, Tsutomu; Uozumi, Yasuhiro
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4883
• a: 8.343 ± 0.002 Å
• b: 12.441 ± 0.003 Å
• c: 22.069 ± 0.005 Å
• α: 87.899 ± 0.005°
• β: 83.911 ± 0.005°
• γ: 82.008 ± 0.005°
• Cell volume: 2255.1 ± 0.9 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.714
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No