Information card for entry 4083820

Structure parameters

• Formula: C22 H43 I N4 O2 P2 Pd
• Calculated formula: C22 H43 I N4 O2 P2 Pd
• SMILES: I[Pd]12[P](Oc3c2c(O[P]1(N(CC)CC)N(CC)CC)ccc3)(N(CC)CC)N(CC)CC
• 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: 32.95 ± 0.007 Å
• b: 10.67 ± 0.002 Å
• c: 16.74 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5885 ± 2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No