Information card for entry 4328784

Structure parameters

• Formula: C35 H30 Cl2 N4 O2 Pd
• Calculated formula: C35 H30 Cl2 N4 O2 Pd
• SMILES: [Pd]123[N](c4c5cc(OCCCCOc6cc7c([N]1=Cc1n2ccc1)cccc7cc6)ccc5ccc4)=Cc1n3ccc1.C(Cl)Cl
• 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: 17.2271 ± 0.0008 Å
• b: 10.1016 ± 0.0005 Å
• c: 17.9361 ± 0.0009 Å
• α: 90°
• β: 105.631 ± 0.001°
• γ: 90°
• Cell volume: 3005.8 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.633
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No