Information card for entry 4328783

Structure parameters

• Formula: C36 H28 N4 O4 Pd
• Calculated formula: C36 H28 N4 O4 Pd
• SMILES: C1(=O)c2cccc[n]2[Pd]23N1c1cccc4c1cc(cc4)OCCCCOc1ccc4cccc(c4c1)N2C(=O)c1cccc[n]31
• Title of publication: Planar-Chiral Metal Complexes Comprised of Square-Planar Metal and Achiral Tetradentate Ligands: Design, Optical Resolution, and Thermodynamics
• Authors of publication: Hidetoshi Goto; Teppei Hayakawa; Kanako Furutachi; Hiroshi Sugimoto; Shohei Inoue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4134 - 4142
• a: 16.5464 ± 0.0006 Å
• b: 11.3534 ± 0.0004 Å
• c: 17.6697 ± 0.0007 Å
• α: 90°
• β: 115.53 ± 0.001°
• γ: 90°
• Cell volume: 2995.29 ± 0.19 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No