Information card for entry 4109218

Structure parameters

• Formula: C37 H29 N3 O4 Pd
• Calculated formula: C37 H29 N3 O4 Pd
• SMILES: [Pd]123N(c4c(C(=[O]1)c1ccccc1)cccc4)C(=O)C[N]2(Cc1ccccc1)CC(=O)N3c1ccccc1C(=O)c1ccccc1
• Title of publication: Design and Synthesis of Molecules with Switchable Chirality via Formation and Cleavage of Metal-Ligand Coordination Bonds
• Authors of publication: Vadim A. Soloshonok; Hisanori Ueki; Jason L. Moore; Trevor K. Ellis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3512 - 3513
• a: 7.9498 ± 0.001 Å
• b: 23.927 ± 0.003 Å
• c: 15.737 ± 0.002 Å
• α: 90°
• β: 101.628 ± 0.005°
• γ: 90°
• Cell volume: 2932 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No