Information card for entry 4078385

Structure parameters

• Formula: C46 H39 Cl5 O3 P2 Pd
• Calculated formula: C46 H39 Cl5 O3 P2 Pd
• Title of publication: Synthesis of Mercury(II) and Palladium(II) Organometallic Derivatives of Terephthaldehyde by Metalation, Transmetalation, Oxidation, and Condensation Reactions. X-ray Crystal Structures oftrans-[PdCl{C6H3(CO2H)2-2,5}(PPh3)2]·Me2CO·2MeOH,trans-[PdCl{C6H3(CHO)-2-(CO2H)-5}(PPh3)2]·2CH2Cl2, and [Pd{C6H3(CHNC6H4NH2-4)-2-(CHO)-5}(N,N,N',N'-Tetramethylethylenediamine)]CF3SO3. Molecular Assemblies through [Pd]–Cl···HO2C–Aryl and [Pd]–Cl···HOMe HO(O)C–Aryl Hydrogen Bonds
• Authors of publication: Vicente, José; Abad, José-Antonio; Rink, Barbara; Hernández, Francisco-Santos; Ramírez de Arellano, M. Carmen
• Journal of publication: Organometallics
• Year of publication: 1997
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 5269 - 5282
• a: 14.6048 ± 0.0012 Å
• b: 17.1715 ± 0.0012 Å
• c: 17.156 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4302.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for all reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0471
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No