Information card for entry 1516961

Structure parameters

• Formula: C38 H32 N2 O2 Pd
• Calculated formula: C38 H32 N2 O2 Pd
• SMILES: [Pd]12(Oc3c4ccccc4ccc3C=[N]1[C@@H](C)c1ccccc1)[N](=Cc1ccc3c(cccc3)c1O2)[C@H](c1ccccc1)C
• Title of publication: Synthesis and structural characterization of isomeric palladium(II) complexes with chiral N,O-bidentate ligands
• Authors of publication: Takashi Tsuno; Haruka Iwabe; Henri Brunner
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 262 - 266
• a: 6.683 ± 0.004 Å
• b: 15.639 ± 0.007 Å
• c: 15.685 ± 0.007 Å
• α: 88.127 ± 0.016°
• β: 84.123 ± 0.018°
• γ: 79.058 ± 0.019°
• Cell volume: 1600.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No