Information card for entry 2012431

Structure parameters

• Chemical name: [4-(diethylamino)-N-(4-methoxyphenyl)salicylaldiminato]- {5-methoxy-2-[N-(4-methoxyphenyl)iminomethyl]phenyl}palladium(II), dichloromethane hemisolvate
• Formula: C32.5 H33 Cl N4 O5 Pd
• Calculated formula: C32.5 H33 Cl N4 O5 Pd
• SMILES: COc1ccc(cc1)[N]1=Cc2ccc(N(=O)=O)cc2[Pd]21[N](=Cc1c(O2)cc(N(CC)CC)cc1)c1ccc(cc1)OC.C(Cl)Cl
• Title of publication: Two orthopalladated chromophores
• Authors of publication: Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m26 - m28
• a: 31.582 ± 0.01 Å
• b: 7.5847 ± 0.001 Å
• c: 26.557 ± 0.006 Å
• α: 90°
• β: 104.96 ± 0.03°
• γ: 90°
• Cell volume: 6146 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1764
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes