Information card for entry 2012430

Structure parameters

• Chemical name: {5-(dimethylamino)-2-[N-(4-methoxyphenyl)iminomethyl]phenyl}[N-(4- methoxyphenyl)-4-nitrosalicylaldiminato]palladium(II)
• Formula: C30 H28 N4 O5 Pd
• Calculated formula: C30 H28 N4 O5 Pd
• SMILES: [Pd]12(c3c(C=[N]1c1ccc(OC)cc1)ccc(N(C)C)c3)N(c1ccc(OC)cc1)Cc1c(O2)cc(N(=O)=O)cc1
• 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: 24.41 ± 0.02 Å
• b: 14.479 ± 0.006 Å
• c: 7.63 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2697 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1659
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes