Information card for entry 1550098

Structure parameters

• Formula: C52 H58 Cl2 N10 O8 Pd
• Calculated formula: C52 H58 Cl2 N10 O8 Pd
• SMILES: [Pd](Cl)(Cl)([n]1ccc(/N=N/c2ccc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)cc2)cc1)[n]1ccc(/N=N/c2ccc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)cc2)cc1.N#CC.N#CC
• Title of publication: Influence of Metal Coordination and Light Irradiation on Hierarchical Self-Assembly Processes
• Authors of publication: Kartha, Kalathil K.; Allampally, Naveen Kumar; Politi, Antiope T.; Prabhu, Deepak Dayanandan; Ouchi, Hayato; Albuquerque, Rodrigo Q.; Yagai, Shiki; Fernandez, Gustavo
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.6996 ± 0.0003 Å
• b: 11.6143 ± 0.0004 Å
• c: 11.6936 ± 0.0004 Å
• α: 73.834 ± 0.0008°
• β: 68.49 ± 0.0008°
• γ: 74.621 ± 0.0009°
• Cell volume: 1276.66 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No